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(1R,2R,8R)-2,9,9-trimethyl-4-[(1R,2R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Formula:C20H32O4B2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1R,2R,8R)-2,9,9-trimethyl-4-[(1R,2R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane is a drug-like molecule.
MolName(1R,2R,8R)-2,9,9-trimethyl-4-[(1R,2R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
MolecularFormulaC20H32O4B2
SmilesCC1(C)[C@@H]2[C@@]3(C)OB(B4O[C@](C)([C@H](C5)C(C)(C)[C@H]5C5)C5O4)OC3C[C@H]1C2
InChIInChI=1S/C20H32B2O4/c1-17(2)11-7-13(17)19(5)15(9-11)23-21(25-19)22-24-16-10-12-8-14(18(12,3)4)20(16,6)26-22/h11-16H,7-10H2,1-6H3/t11-,12-,13-,14-,15?,16?,19-,20-/m1/s1
InChIKVNEZFUGEQURPEN-MPHSJBCASA-N
TotalMolweight358.092
Molweight358.092
MonoisotopicMass358.24867
CLogP2.5996
CLogS-2.002
H Acceptors4
TotalSurfaceArea246.94
Relative PSA0.16198
PolarSurfaceArea36.92
Druglikeness-11.595
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functionsunwanted atom
Shape Index0.46154
Fragments1
Non HAtoms26
NonCHAtoms6
Electronegative Atoms4
StereoCenters8
Rotatable Bond1
Rings Closures6
Small Rings8
Sp3Atoms24
Symmetricatoms14
StereoConunknown chirality

Request More Details | (1R,2R,8R)-2,9,9-trimethyl-4-[(1R,2R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane


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