1-cyclopentyloct-6-yn-3-ol

C13H22O — CID 115833783

IUPAC1-cyclopentyloct-6-yn-3-ol
SMILESCC#CCCC(O)CCC1CCCC1
InChIInChI=1S/C13H22O/c1-2-3-4-9-13(14)11-10-12-7-5-6-8-12/h12-14H,4-11H2,1H3
InChIKeyTYDCJMRZFGOUEV-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.12
Rot. Bonds5

About 1-cyclopentyloct-6-yn-3-ol

1-cyclopentyloct-6-yn-3-ol (PubChem CID 115833783) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-cyclopentyloct-6-yn-3-ol.

Molecular Properties

Compound Name1-cyclopentyloct-6-yn-3-ol
PubChem CID115833783
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-cyclopentyloct-6-yn-3-ol
SMILESCC#CCCC(O)CCC1CCCC1
InChIInChI=1S/C13H22O/c1-2-3-4-9-13(14)11-10-12-7-5-6-8-12/h12-14H,4-11H2,1H3
InChIKeyTYDCJMRZFGOUEV-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,5-dicyclohexylpentan-3-ol
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CID 104803851
1-amino-5-cyclopentylpentan-3-ol
CID 65184761
1-cyclopentyldecan-3-ol
CID 115783211
(2S)-4-cyclohexylbutane-1,2-diol
CID 11171243
1-cyclohexyl-6-methylhept-6-en-3-ol
CID 115834468
1-cyclobutyl-N-methylhex-4-yn-1-amine
CID 104805821
1-cyclohexylhept-6-en-3-ol
CID 115804677
4-cyclohexyl-1-ethoxybutan-2-ol
CID 115818721
1-cyclopentyl-4-methylhexan-3-ol
CID 115823411
1-cyclopentylhex-5-en-3-ol
CID 115778851

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloct-6-yn-3-ol?
The IUPAC name of 1-cyclopentyloct-6-yn-3-ol (CID 115833783) is 1-cyclopentyloct-6-yn-3-ol.
What is the SMILES notation for 1-cyclopentyloct-6-yn-3-ol?
The canonical SMILES for 1-cyclopentyloct-6-yn-3-ol is CC#CCCC(O)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyloct-6-yn-3-ol?
The InChIKey is TYDCJMRZFGOUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-3-4-9-13(14)11-10-12-7-5-6-8-12/h12-14H,4-11H2,1H3.
What are the key properties of 1-cyclopentyloct-6-yn-3-ol?
1-cyclopentyloct-6-yn-3-ol has a molecular weight of 194.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloct-6-yn-3-ol is sourced from PubChem (CID 115833783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).