3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol

C11H18O — CID 11205980

IUPAC3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol
SMILESC=C(CCO)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,11-12H,2,4-8H2,1H3/t11-/m1/s1
InChIKeyKGQKYMFFMFUSOZ-LLVKDONJSA-N
MW166.26 g/mol
LogP2.67
Rot. Bonds3

About 3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol

3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol (PubChem CID 11205980) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol.

Molecular Properties

Compound Name3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol
PubChem CID11205980
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol
SMILESC=C(CCO)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,11-12H,2,4-8H2,1H3/t11-/m1/s1
InChIKeyKGQKYMFFMFUSOZ-LLVKDONJSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.67
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

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3,7-Dimethyl-7-octen-1-ol
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Nopol
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Perilla alcohol
CID 369312
Menthadienol
CID 527143
(+)-Perillyl alcohol
CID 11788398
Rhodinol
CID 81263
p-MENTH-1-EN-9-OL
CID 86753
6,10-Dodecadien-1-ol, 3,7,11-trimethyl-
CID 439223

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol?
The IUPAC name of 3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol (CID 11205980) is 3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol.
What is the SMILES notation for 3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol?
The canonical SMILES for 3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol is C=C(CCO)[C@@H]1CC=C(C)CC1.
What is the InChIKey of 3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol?
The InChIKey is KGQKYMFFMFUSOZ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,11-12H,2,4-8H2,1H3/t11-/m1/s1.
What are the key properties of 3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol?
3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-4-methylcyclohex-3-en-1-yl]but-3-en-1-ol is sourced from PubChem (CID 11205980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).