[(1S,2S)-2-prop-2-enylcyclohexyl]methanol

C10H18O — CID 134992841

IUPAC[(1S,2S)-2-prop-2-enylcyclohexyl]methanol
SMILESC=CC[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C10H18O/c1-2-5-9-6-3-4-7-10(9)8-11/h2,9-11H,1,3-8H2/t9-,10-/m1/s1
InChIKeyALLAJRPGJVFASC-NXEZZACHSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds3

About [(1S,2S)-2-prop-2-enylcyclohexyl]methanol

[(1S,2S)-2-prop-2-enylcyclohexyl]methanol (PubChem CID 134992841) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is [(1S,2S)-2-prop-2-enylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-prop-2-enylcyclohexyl]methanol
PubChem CID134992841
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name[(1S,2S)-2-prop-2-enylcyclohexyl]methanol
SMILESC=CC[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C10H18O/c1-2-5-9-6-3-4-7-10(9)8-11/h2,9-11H,1,3-8H2/t9-,10-/m1/s1
InChIKeyALLAJRPGJVFASC-NXEZZACHSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol
CID 5368931
[(1S,2S)-2-ethenylcyclohexyl]methanol
CID 22854364
cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine
CID 12910257
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine
CID 81028737
cis-(1S,2R)-2-prop-2-enylcyclopentan-1-amine
CID 52897209
(3-prop-2-enyloxetan-2-yl)methanol
CID 69422031
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
N-[(2-prop-2-enylcyclohexyl)methyl]propan-1-amine
CID 81027769
methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium
CID 20778311
cis-(1S,2R)-1-prop-1-en-2-yl-2-prop-2-enylcyclopentane
CID 11073596
(2-prop-2-enylcyclopropyl)cyclopentane
CID 154518505

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-prop-2-enylcyclohexyl]methanol?
The IUPAC name of [(1S,2S)-2-prop-2-enylcyclohexyl]methanol (CID 134992841) is [(1S,2S)-2-prop-2-enylcyclohexyl]methanol.
What is the SMILES notation for [(1S,2S)-2-prop-2-enylcyclohexyl]methanol?
The canonical SMILES for [(1S,2S)-2-prop-2-enylcyclohexyl]methanol is C=CC[C@@H]1CCCC[C@@H]1CO.
What is the InChIKey of [(1S,2S)-2-prop-2-enylcyclohexyl]methanol?
The InChIKey is ALLAJRPGJVFASC-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O/c1-2-5-9-6-3-4-7-10(9)8-11/h2,9-11H,1,3-8H2/t9-,10-/m1/s1.
What are the key properties of [(1S,2S)-2-prop-2-enylcyclohexyl]methanol?
[(1S,2S)-2-prop-2-enylcyclohexyl]methanol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-prop-2-enylcyclohexyl]methanol is sourced from PubChem (CID 134992841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).