1-cyclohexyl-4-methylhex-2-yn-1-ol

C13H22O — CID 10867216

IUPAC1-cyclohexyl-4-methylhex-2-yn-1-ol
SMILESCCC(C)C#CC(O)C1CCCCC1
InChIInChI=1S/C13H22O/c1-3-11(2)9-10-13(14)12-7-5-4-6-8-12/h11-14H,3-8H2,1-2H3
InChIKeySMXWHPQCKVQVJY-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.98
Rot. Bonds2

About 1-cyclohexyl-4-methylhex-2-yn-1-ol

1-cyclohexyl-4-methylhex-2-yn-1-ol (PubChem CID 10867216) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylhex-2-yn-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-4-methylhex-2-yn-1-ol
PubChem CID10867216
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-cyclohexyl-4-methylhex-2-yn-1-ol
SMILESCCC(C)C#CC(O)C1CCCCC1
InChIInChI=1S/C13H22O/c1-3-11(2)9-10-13(14)12-7-5-4-6-8-12/h11-14H,3-8H2,1-2H3
InChIKeySMXWHPQCKVQVJY-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1R,4R)-1,4-dicyclohexylbut-2-yne-1,4-diol
CID 12063945
1-cyclohexylpent-2-yn-1-ol
CID 177314647
1-cyclohexyltridec-2-yne-1,4-diol
CID 15695908
1-cyclohexyl-4-methylpent-2-yne-1,4-diol
CID 18509553
butan-2-ylcyclohexadecane
CID 123713671
4-cyclohexylhexan-2-ol
CID 11830109
4-cyclohexyl-4-hydroxybut-2-ynoic acid
CID 11830059
(1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol
CID 124629082
(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
butan-2-ylcyclohexane;ethane
CID 143005290
1-cyclooctylprop-2-yn-1-ol
CID 22150534
5-cyclohexylheptan-2-ol
CID 89364025

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylhex-2-yn-1-ol?
The IUPAC name of 1-cyclohexyl-4-methylhex-2-yn-1-ol (CID 10867216) is 1-cyclohexyl-4-methylhex-2-yn-1-ol.
What is the SMILES notation for 1-cyclohexyl-4-methylhex-2-yn-1-ol?
The canonical SMILES for 1-cyclohexyl-4-methylhex-2-yn-1-ol is CCC(C)C#CC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-methylhex-2-yn-1-ol?
The InChIKey is SMXWHPQCKVQVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-3-11(2)9-10-13(14)12-7-5-4-6-8-12/h11-14H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-methylhex-2-yn-1-ol?
1-cyclohexyl-4-methylhex-2-yn-1-ol has a molecular weight of 194.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylhex-2-yn-1-ol is sourced from PubChem (CID 10867216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).