1-(4-butylcyclohexyl)pent-4-yn-1-ol

C15H26O — CID 115799427

IUPAC1-(4-butylcyclohexyl)pent-4-yn-1-ol
SMILESC#CCCC(O)C1CCC(CCCC)CC1
InChIInChI=1S/C15H26O/c1-3-5-7-13-9-11-14(12-10-13)15(16)8-6-4-2/h2,13-16H,3,5-12H2,1H3
InChIKeyWWPCFOKCAXKIOL-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.76
Rot. Bonds6

About 1-(4-butylcyclohexyl)pent-4-yn-1-ol

1-(4-butylcyclohexyl)pent-4-yn-1-ol (PubChem CID 115799427) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)pent-4-yn-1-ol.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)pent-4-yn-1-ol
PubChem CID115799427
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-(4-butylcyclohexyl)pent-4-yn-1-ol
SMILESC#CCCC(O)C1CCC(CCCC)CC1
InChIInChI=1S/C15H26O/c1-3-5-7-13-9-11-14(12-10-13)15(16)8-6-4-2/h2,13-16H,3,5-12H2,1H3
InChIKeyWWPCFOKCAXKIOL-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.76
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

1-(4-butylcyclohexyl)hex-5-yn-1-ol
CID 115831781
1-(4-butylcyclohexyl)pent-4-yn-1-amine
CID 115859309
1-(4-propan-2-ylcyclohexyl)pent-4-yn-1-ol
CID 65423161
1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
CID 114981328
1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine
CID 105033925
1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 115803759
1-cyclopentylpent-4-yn-1-ol
CID 63657478
1-cyclohexylpent-4-yn-1-ol
CID 63657295
1-cyclopropylpentan-1-ol
CID 551238
1-(thiolan-3-yl)pent-4-yn-1-ol
CID 105098646
1-(4-butylcyclohexyl)-2-methylpentan-1-ol
CID 114013662
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol
CID 115789621

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)pent-4-yn-1-ol?
The IUPAC name of 1-(4-butylcyclohexyl)pent-4-yn-1-ol (CID 115799427) is 1-(4-butylcyclohexyl)pent-4-yn-1-ol.
What is the SMILES notation for 1-(4-butylcyclohexyl)pent-4-yn-1-ol?
The canonical SMILES for 1-(4-butylcyclohexyl)pent-4-yn-1-ol is C#CCCC(O)C1CCC(CCCC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)pent-4-yn-1-ol?
The InChIKey is WWPCFOKCAXKIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-3-5-7-13-9-11-14(12-10-13)15(16)8-6-4-2/h2,13-16H,3,5-12H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)pent-4-yn-1-ol?
1-(4-butylcyclohexyl)pent-4-yn-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)pent-4-yn-1-ol is sourced from PubChem (CID 115799427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).