1-(2-methylcyclopentyl)hex-4-yn-1-ol

C12H20O — CID 107192887

IUPAC1-(2-methylcyclopentyl)hex-4-yn-1-ol
SMILESCC#CCCC(O)C1CCCC1C
InChIInChI=1S/C12H20O/c1-3-4-5-9-12(13)11-8-6-7-10(11)2/h10-13H,5-9H2,1-2H3
InChIKeyDXIOOQRTQQCABE-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-methylcyclopentyl)hex-4-yn-1-ol

1-(2-methylcyclopentyl)hex-4-yn-1-ol (PubChem CID 107192887) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)hex-4-yn-1-ol.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)hex-4-yn-1-ol
PubChem CID107192887
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-(2-methylcyclopentyl)hex-4-yn-1-ol
SMILESCC#CCCC(O)C1CCCC1C
InChIInChI=1S/C12H20O/c1-3-4-5-9-12(13)11-8-6-7-10(11)2/h10-13H,5-9H2,1-2H3
InChIKeyDXIOOQRTQQCABE-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.59
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 1-(2-methylcyclopentyl)hex-4-yn-1-ol?
The IUPAC name of 1-(2-methylcyclopentyl)hex-4-yn-1-ol (CID 107192887) is 1-(2-methylcyclopentyl)hex-4-yn-1-ol.
What is the SMILES notation for 1-(2-methylcyclopentyl)hex-4-yn-1-ol?
The canonical SMILES for 1-(2-methylcyclopentyl)hex-4-yn-1-ol is CC#CCCC(O)C1CCCC1C.
What is the InChIKey of 1-(2-methylcyclopentyl)hex-4-yn-1-ol?
The InChIKey is DXIOOQRTQQCABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-4-5-9-12(13)11-8-6-7-10(11)2/h10-13H,5-9H2,1-2H3.
What are the key properties of 1-(2-methylcyclopentyl)hex-4-yn-1-ol?
1-(2-methylcyclopentyl)hex-4-yn-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)hex-4-yn-1-ol is sourced from PubChem (CID 107192887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).