5-(cyclohexen-1-yl)pent-4-yn-2-ol

C11H16O — CID 130122846

IUPAC5-(cyclohexen-1-yl)pent-4-yn-2-ol
SMILESCC(O)CC#CC1=CCCCC1
InChIInChI=1S/C11H16O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h7,10,12H,2-4,6,8H2,1H3
InChIKeySIPTYNYETFPIIX-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.26
Rot. Bonds1

About 5-(cyclohexen-1-yl)pent-4-yn-2-ol

5-(cyclohexen-1-yl)pent-4-yn-2-ol (PubChem CID 130122846) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)pent-4-yn-2-ol.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)pent-4-yn-2-ol
PubChem CID130122846
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5-(cyclohexen-1-yl)pent-4-yn-2-ol
SMILESCC(O)CC#CC1=CCCCC1
InChIInChI=1S/C11H16O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h7,10,12H,2-4,6,8H2,1H3
InChIKeySIPTYNYETFPIIX-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)pent-4-yn-2-ol?
The IUPAC name of 5-(cyclohexen-1-yl)pent-4-yn-2-ol (CID 130122846) is 5-(cyclohexen-1-yl)pent-4-yn-2-ol.
What is the SMILES notation for 5-(cyclohexen-1-yl)pent-4-yn-2-ol?
The canonical SMILES for 5-(cyclohexen-1-yl)pent-4-yn-2-ol is CC(O)CC#CC1=CCCCC1.
What is the InChIKey of 5-(cyclohexen-1-yl)pent-4-yn-2-ol?
The InChIKey is SIPTYNYETFPIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h7,10,12H,2-4,6,8H2,1H3.
What are the key properties of 5-(cyclohexen-1-yl)pent-4-yn-2-ol?
5-(cyclohexen-1-yl)pent-4-yn-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)pent-4-yn-2-ol is sourced from PubChem (CID 130122846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).