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17898 71 4 | Cheminformatics

Chemical : (1,1,3,3-Tetramethyldisiloxane-1,3-diyl)dipropane-1,3-diyl diacrylate

Casrn : 17898-71-4

MolName : (1,1,3,3-Tetramethyldisiloxane-1,3-diyl)dipropane-1,3-diyl diacrylate

MolecularFormula : C16H30O5Si2

Smiles : C[Si](C)(CCCOC(C=C)=O)O[Si](C)(C)CCCOC(C=C)=O

InChI : InChI=1S/C16H30O5Si2/c1-7-15(17)19-11-9-13-22(3,4)21-23(5,6)14-10-12-20-16(18)8-2/h7-8H,1-2,9-14H2,3-6H3

InChIK : AMZNFNXOVYDPBW-UHFFFAOYSA-N

CanonicalSyTyLFy : f81899dc507f6cdd

TotalMolweight : 358.581

Molweight : 358.581

MonoisotopicMass : 358.163179

CLogP : 5.2458

CLogS : -8.448

H Acceptors : 5

TotalSurfaceArea : 286.68

Relative PSA : 0.19562

PolarSurfaceArea : 61.83

Druglikeness : -98.224

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : high

Nasty Functions :

Shape Index : 0.73913

Molecula Flexibility : 0.79622

Molecular Complexity : 0.49511

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 7

Electronegative Atoms : 5

Rotatable Bond : 14

Sp3Atoms : 13

Symmetricatoms : 12

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
10001-51-1nonenonenoneC9H18N2O170.2555.9677
100010-21-7nonenonenoneC14H21NO219.327-4.2999
1000018-39-2highhighlowC13H20N2O2S268.381.9315
100-75-4highhighhighC5H10N2O114.147-0.86877
10-13-2009nonenonenoneC15H14O5274.271-1.4702
1000269-67-9nonenonenoneC13H22N4234.3460.99367
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
100-91-4nonenonehighC17H25NO3291.393.3475
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
10000-51-8nonenonenoneC14H15NO3245.2770.10503
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100-62-9lownonenoneC7H7N105.14-1.1924
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100-50-5nonenonehighC7H10O110.155-9.6048
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100-86-7nonenonenoneC10H14O150.22-2.4187
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
100005-44-5highnonelowC7H5O2ClS188.634-11.771
100-57-2highlowlowC6H6OHg294.703-2.3891
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
100-46-9nonenonenoneC7H9N107.155-2.0712
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
1000000-13-4highhighhighC21H28O12472.441-0.17986
100-82-3nonenonenoneC7H8NF125.146-3.4112
100-92-5nonenonenoneC11H17N163.2631.1672
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
100-28-7highlowlowC7H4N2O3164.12-21.552
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
100-41-4highhighhighC8H10106.167-2.68
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000-41-5nonenonelowC10H18O154.252-9.05
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100-18-5nonenonenoneC12H18162.275-2.5088
100-66-3highnonehighC7H8O108.14-2.0846
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
100-44-7highhighnoneC7H7Cl126.586-2.365
100-40-3nonenonehighC8H12108.183-9.1684