(1,1,3,3-Tetramethoxypropan-2-yl)cyclopropane

CAS Number: 90252-99-6
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COC(C(C(OC)OC)C1CC1)OC
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H20O4
Molecular Weight
204.265
Drug-likeness
-7.6425
CAS
90252-99-6
InChI key
NDDRQRBMTOWELK-UHFFFAOYSA-N
SMILES
COC(C(C(OC)OC)C1CC1)OC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 90252-99-6
Molecule Name (1,1,3,3-Tetramethoxypropan-2-yl)cyclopropane
Molecular Formula C10H20O4
SMILES COC(C(C(OC)OC)C1CC1)OC
InChI InChI=1S/C10H20O4/c1-11-9(12-2)8(7-5-6-7)10(13-3)14-4/h7-10H,5-6H2,1-4H3
InChI Key NDDRQRBMTOWELK-UHFFFAOYSA-N
CanonicalSyTyLFy 52f0ce053a0a98f3
TotalMolweight 204.265
Molecular Weight 204.265
MonoisotopicMass 204.13616
CLogP 0.4108
CLogS -1.056
H Acceptors 4
TotalSurfaceArea 166.56
Relative PSA 0.24015
PolarSurfaceArea 36.92
Drug-likeness -7.6425
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecula Flexibility 0.50184
Molecular Complexity 0.55303
Fragments 1
Non HAtoms 14
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 7
Rings Closures 1
Small Rings 1
Sp3Atoms 14
Symmetricatoms 8

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