(1,1-Dimethoxypropan-2-ylidene)cyclopropane

CAS Number: 65234-85-7
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CC(C(OC)OC)=C1CC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H14O2
Molecular Weight
142.197
Drug-likeness
-8.4308
CAS
65234-85-7
InChI key
CKVCYYJDTGZKCB-UHFFFAOYSA-N
SMILES
CC(C(OC)OC)=C1CC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 65234-85-7
Molecule Name (1,1-Dimethoxypropan-2-ylidene)cyclopropane
Molecular Formula C8H14O2
SMILES CC(C(OC)OC)=C1CC1
InChI InChI=1S/C8H14O2/c1-6(7-4-5-7)8(9-2)10-3/h8H,4-5H2,1-3H3
InChI Key CKVCYYJDTGZKCB-UHFFFAOYSA-N
CanonicalSyTyLFy 84bc5328b27fad3b
TotalMolweight 142.197
Molecular Weight 142.197
MonoisotopicMass 142.09938
CLogP 1.4846
CLogS -1.193
H Acceptors 2
TotalSurfaceArea 119.72
Relative PSA 0.16706
PolarSurfaceArea 18.46
Drug-likeness -8.4308
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecula Flexibility 0.44294
Molecular Complexity 0.65917
Fragments 1
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 3

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