p-Mentha-2,8-dien-1-ol, (Z)-

CAS Number: 3886-78-0
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C[C@@](CC1)(C=C[C@H]1C(C)=C)O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H16O
Molecular Weight
152.236
Drug-likeness
-17.812
CAS
3886-78-0
InChI key
MKPMHJQMNACGDI-UWVGGRQHSA-N
SMILES
C[C@@](CC1)(C=C[C@H]1C(C)=C)O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 3886-78-0
Molecule Name p-Mentha-2,8-dien-1-ol, (Z)-
Molecular Formula C10H16O
SMILES C[C@@](CC1)(C=C[C@H]1C(C)=C)O
InChI InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m0/s1
InChI Key MKPMHJQMNACGDI-UWVGGRQHSA-N
CanonicalSyTyLFy 8ef3c51af79340a0
TotalMolweight 152.236
Molecular Weight 152.236
MonoisotopicMass 152.120115
CLogP 2.3671
CLogS -2.125
H Acceptors 1
H Donors 1
TotalSurfaceArea 130.55
Relative PSA 0.10034
PolarSurfaceArea 20.23
Drug-likeness -17.812
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.63636
Molecula Flexibility 0.46353
Molecular Complexity 0.6993
Fragments 1
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 7
StereoCon this enantiomer

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