1-(4-butylcyclohexyl)hex-5-yn-1-ol

C16H28O — CID 115831781

IUPAC1-(4-butylcyclohexyl)hex-5-yn-1-ol
SMILESC#CCCCC(O)C1CCC(CCCC)CC1
InChIInChI=1S/C16H28O/c1-3-5-7-9-16(17)15-12-10-14(11-13-15)8-6-4-2/h1,14-17H,4-13H2,2H3
InChIKeyORLCDAGZLSLCFQ-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.15
Rot. Bonds7

About 1-(4-butylcyclohexyl)hex-5-yn-1-ol

1-(4-butylcyclohexyl)hex-5-yn-1-ol (PubChem CID 115831781) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)hex-5-yn-1-ol.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)hex-5-yn-1-ol
PubChem CID115831781
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name1-(4-butylcyclohexyl)hex-5-yn-1-ol
SMILESC#CCCCC(O)C1CCC(CCCC)CC1
InChIInChI=1S/C16H28O/c1-3-5-7-9-16(17)15-12-10-14(11-13-15)8-6-4-2/h1,14-17H,4-13H2,2H3
InChIKeyORLCDAGZLSLCFQ-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylcyclohexyl)pent-4-yn-1-ol
CID 115799427
1-(4-butylcyclohexyl)-N-methylhex-5-yn-1-amine
CID 105033925
1-(4-butylcyclohexyl)pent-4-yn-1-amine
CID 115859309
1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 115803759
1-cyclopropylpentan-1-ol
CID 551238
1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
CID 114981328
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-(4-propan-2-ylcyclohexyl)pent-4-yn-1-ol
CID 65423161
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)hex-5-yn-1-ol?
The IUPAC name of 1-(4-butylcyclohexyl)hex-5-yn-1-ol (CID 115831781) is 1-(4-butylcyclohexyl)hex-5-yn-1-ol.
What is the SMILES notation for 1-(4-butylcyclohexyl)hex-5-yn-1-ol?
The canonical SMILES for 1-(4-butylcyclohexyl)hex-5-yn-1-ol is C#CCCCC(O)C1CCC(CCCC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)hex-5-yn-1-ol?
The InChIKey is ORLCDAGZLSLCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-3-5-7-9-16(17)15-12-10-14(11-13-15)8-6-4-2/h1,14-17H,4-13H2,2H3.
What are the key properties of 1-(4-butylcyclohexyl)hex-5-yn-1-ol?
1-(4-butylcyclohexyl)hex-5-yn-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)hex-5-yn-1-ol is sourced from PubChem (CID 115831781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).