(2,3-Dimethylcyclopropyl)methanol

CAS Number: 24382-75-0
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CC1C(CO)C1C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C6H12O
Molecular Weight
100.16
Drug-likeness
-1.0905
CAS
24382-75-0
InChI key
DOWOIXHHMHQXEE-UHFFFAOYSA-N
SMILES
CC1C(CO)C1C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 24382-75-0
Molecule Name (2,3-Dimethylcyclopropyl)methanol
Molecular Formula C6H12O
SMILES CC1C(CO)C1C
InChI InChI=1S/C6H12O/c1-4-5(2)6(4)3-7/h4-7H,3H2,1-2H3
InChI Key DOWOIXHHMHQXEE-UHFFFAOYSA-N
CanonicalSyTyLFy fbe3d9fe3b423fa8
TotalMolweight 100.16
Molecular Weight 100.16
MonoisotopicMass 100.088815
CLogP 0.9072
CLogS -1.313
H Acceptors 1
H Donors 1
TotalSurfaceArea 82.13
Relative PSA 0.1595
PolarSurfaceArea 20.23
Drug-likeness -1.0905
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.3134
Molecular Complexity 0.73241
Fragments 1
Non HAtoms 7
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 7
Symmetricatoms 2
StereoCon unknown chirality

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