(+)-Santolina alcohol

CAS Number: 35671-15-9
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CC(C)([C@@H](C=C)C=C(C)C)O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H18O
Molecular Weight
154.252
Drug-likeness
-4.8124
CAS
35671-15-9
InChI key
JWGLVEFPXSKNBN-VIFPVBQESA-N
SMILES
CC(C)([C@@H](C=C)C=C(C)C)O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 35671-15-9
Molecule Name (+)-Santolina alcohol
Molecular Formula C10H18O
SMILES CC(C)([C@@H](C=C)C=C(C)C)O
InChI InChI=1S/C10H18O/c1-6-9(7-8(2)3)10(4,5)11/h6-7,9,11H,1H2,2-5H3/t9-/m0/s1
InChI Key JWGLVEFPXSKNBN-VIFPVBQESA-N
CanonicalSyTyLFy 895b2ee1e87941a9
TotalMolweight 154.252
Molecular Weight 154.252
MonoisotopicMass 154.135765
CLogP 2.995
CLogS -2.039
H Acceptors 1
H Donors 1
TotalSurfaceArea 141.05
Relative PSA 0.092875
PolarSurfaceArea 20.23
Drug-likeness -4.8124
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.54545
Molecula Flexibility 0.47794
Molecular Complexity 0.59915
Fragments 1
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 3
Sp3Atoms 7
Symmetricatoms 2
StereoCon this enantiomer

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