1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol

C10H14O — CID 130122071

IUPAC1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol
SMILESC#CC(O)C1CC=C(C)CC1
InChIInChI=1S/C10H14O/c1-3-10(11)9-6-4-8(2)5-7-9/h1,4,9-11H,5-7H2,2H3
InChIKeySLNFFCIWVHBPQI-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.73
Rot. Bonds1

About 1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol

1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol (PubChem CID 130122071) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol
PubChem CID130122071
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol
SMILESC#CC(O)C1CC=C(C)CC1
InChIInChI=1S/C10H14O/c1-3-10(11)9-6-4-8(2)5-7-9/h1,4,9-11H,5-7H2,2H3
InChIKeySLNFFCIWVHBPQI-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol (CID 130122071) is 1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol is C#CC(O)C1CC=C(C)CC1.
What is the InChIKey of 1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol?
The InChIKey is SLNFFCIWVHBPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-10(11)9-6-4-8(2)5-7-9/h1,4,9-11H,5-7H2,2H3.
What are the key properties of 1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol?
1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol has a molecular weight of 150.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohex-3-en-1-yl)prop-2-yn-1-ol is sourced from PubChem (CID 130122071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).