2-cyclopentylhept-5-yn-2-ol

C12H20O — CID 127011902

IUPAC2-cyclopentylhept-5-yn-2-ol
SMILESCC#CCCC(C)(O)C1CCCC1
InChIInChI=1S/C12H20O/c1-3-4-7-10-12(2,13)11-8-5-6-9-11/h11,13H,5-10H2,1-2H3
InChIKeyBPYDYKPODDHWBK-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.73
Rot. Bonds3

About 2-cyclopentylhept-5-yn-2-ol

2-cyclopentylhept-5-yn-2-ol (PubChem CID 127011902) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-cyclopentylhept-5-yn-2-ol.

Molecular Properties

Compound Name2-cyclopentylhept-5-yn-2-ol
PubChem CID127011902
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-cyclopentylhept-5-yn-2-ol
SMILESCC#CCCC(C)(O)C1CCCC1
InChIInChI=1S/C12H20O/c1-3-4-7-10-12(2,13)11-8-5-6-9-11/h11,13H,5-10H2,1-2H3
InChIKeyBPYDYKPODDHWBK-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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 2-cyclopentylhept-5-yn-2-ol?
The IUPAC name of 2-cyclopentylhept-5-yn-2-ol (CID 127011902) is 2-cyclopentylhept-5-yn-2-ol.
What is the SMILES notation for 2-cyclopentylhept-5-yn-2-ol?
The canonical SMILES for 2-cyclopentylhept-5-yn-2-ol is CC#CCCC(C)(O)C1CCCC1.
What is the InChIKey of 2-cyclopentylhept-5-yn-2-ol?
The InChIKey is BPYDYKPODDHWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-4-7-10-12(2,13)11-8-5-6-9-11/h11,13H,5-10H2,1-2H3.
What are the key properties of 2-cyclopentylhept-5-yn-2-ol?
2-cyclopentylhept-5-yn-2-ol has a molecular weight of 180.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylhept-5-yn-2-ol is sourced from PubChem (CID 127011902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).