3-(1-methylcyclohex-2-en-1-yl)propan-1-ol

C10H18O — CID 14950086

IUPAC3-(1-methylcyclohex-2-en-1-yl)propan-1-ol
SMILESCC1(CCCO)C=CCCC1
InChIInChI=1S/C10H18O/c1-10(8-5-9-11)6-3-2-4-7-10/h3,6,11H,2,4-5,7-9H2,1H3
InChIKeyLSVJBTYNADSURC-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.51
Rot. Bonds3

About 3-(1-methylcyclohex-2-en-1-yl)propan-1-ol

3-(1-methylcyclohex-2-en-1-yl)propan-1-ol (PubChem CID 14950086) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-(1-methylcyclohex-2-en-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylcyclohex-2-en-1-yl)propan-1-ol
PubChem CID14950086
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-(1-methylcyclohex-2-en-1-yl)propan-1-ol
SMILESCC1(CCCO)C=CCCC1
InChIInChI=1S/C10H18O/c1-10(8-5-9-11)6-3-2-4-7-10/h3,6,11H,2,4-5,7-9H2,1H3
InChIKeyLSVJBTYNADSURC-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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

Myristoleyl alcohol
CID 5364712
Dehydrodihydroionol
CID 62126
8-Dodecen-1-ol, (8Z)-
CID 5283295
Cis-11-tetradecenol
CID 1712010
11-Tetradecen-1-ol, (11E)-
CID 1712011
Methylcyclohexenyl butanol
CID 85903
9-Dodecen-1-ol, (9E)-
CID 5283277
(9E)-9-Tetradecen-1-ol
CID 5352284
9-Dodecen-1-ol, (9Z)-
CID 6431342
2,6,6-Trimethylcyclohex-2-ene-1-methanol
CID 97932
9-Dodecen-1-ol
CID 93181
9,12-Tetradecadien-1-ol, (9E,12Z)-
CID 6436736

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclohex-2-en-1-yl)propan-1-ol?
The IUPAC name of 3-(1-methylcyclohex-2-en-1-yl)propan-1-ol (CID 14950086) is 3-(1-methylcyclohex-2-en-1-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methylcyclohex-2-en-1-yl)propan-1-ol?
The canonical SMILES for 3-(1-methylcyclohex-2-en-1-yl)propan-1-ol is CC1(CCCO)C=CCCC1.
What is the InChIKey of 3-(1-methylcyclohex-2-en-1-yl)propan-1-ol?
The InChIKey is LSVJBTYNADSURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(8-5-9-11)6-3-2-4-7-10/h3,6,11H,2,4-5,7-9H2,1H3.
What are the key properties of 3-(1-methylcyclohex-2-en-1-yl)propan-1-ol?
3-(1-methylcyclohex-2-en-1-yl)propan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclohex-2-en-1-yl)propan-1-ol is sourced from PubChem (CID 14950086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).