6-(4-methylcyclohexyl)hex-5-yn-1-ol

C13H22O — CID 140577326

IUPAC6-(4-methylcyclohexyl)hex-5-yn-1-ol
SMILESCC1CCC(C#CCCCCO)CC1
InChIInChI=1S/C13H22O/c1-12-7-9-13(10-8-12)6-4-2-3-5-11-14/h12-14H,2-3,5,7-11H2,1H3
InChIKeyMAYZXGIPKBMWAF-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.98
Rot. Bonds3

About 6-(4-methylcyclohexyl)hex-5-yn-1-ol

6-(4-methylcyclohexyl)hex-5-yn-1-ol (PubChem CID 140577326) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 6-(4-methylcyclohexyl)hex-5-yn-1-ol.

Molecular Properties

Compound Name6-(4-methylcyclohexyl)hex-5-yn-1-ol
PubChem CID140577326
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name6-(4-methylcyclohexyl)hex-5-yn-1-ol
SMILESCC1CCC(C#CCCCCO)CC1
InChIInChI=1S/C13H22O/c1-12-7-9-13(10-8-12)6-4-2-3-5-11-14/h12-14H,2-3,5,7-11H2,1H3
InChIKeyMAYZXGIPKBMWAF-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.98
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

2-(15-cyclopropylpentadec-14-ynylsulfanyl)ethanol
CID 170688915
3-(13-cyclopentyltridec-12-ynoxy)propan-1-ol
CID 162744752
dodec-1-ynylcycloheptane
CID 11579803
2-(14-cyclopentyltetradec-13-ynoxy)ethanol
CID 162744238
undec-5-yn-1-ol
CID 13113234
undec-7-yn-1-ol
CID 10909966
heptadec-8-yn-1-ol
CID 10491053
tetradec-5-yn-1-ol
CID 15730841
pentadeca-5,10-diyn-1-ol
CID 560933
methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 160901887
1-ethyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 19984734
hexadeca-9,11-diyn-1-ol
CID 24975633

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylcyclohexyl)hex-5-yn-1-ol?
The IUPAC name of 6-(4-methylcyclohexyl)hex-5-yn-1-ol (CID 140577326) is 6-(4-methylcyclohexyl)hex-5-yn-1-ol.
What is the SMILES notation for 6-(4-methylcyclohexyl)hex-5-yn-1-ol?
The canonical SMILES for 6-(4-methylcyclohexyl)hex-5-yn-1-ol is CC1CCC(C#CCCCCO)CC1.
What is the InChIKey of 6-(4-methylcyclohexyl)hex-5-yn-1-ol?
The InChIKey is MAYZXGIPKBMWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-12-7-9-13(10-8-12)6-4-2-3-5-11-14/h12-14H,2-3,5,7-11H2,1H3.
What are the key properties of 6-(4-methylcyclohexyl)hex-5-yn-1-ol?
6-(4-methylcyclohexyl)hex-5-yn-1-ol has a molecular weight of 194.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylcyclohexyl)hex-5-yn-1-ol is sourced from PubChem (CID 140577326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).