4-cyclohexyl-2-methylbut-3-yn-2-ol

C11H18O — CID 23269380

IUPAC4-cyclohexyl-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#CC1CCCCC1
InChIInChI=1S/C11H18O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h10,12H,3-7H2,1-2H3
InChIKeyYPVIHRAVKXSWIA-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.34
Rot. Bonds

About 4-cyclohexyl-2-methylbut-3-yn-2-ol

4-cyclohexyl-2-methylbut-3-yn-2-ol (PubChem CID 23269380) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-cyclohexyl-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-cyclohexyl-2-methylbut-3-yn-2-ol
PubChem CID23269380
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-cyclohexyl-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#CC1CCCCC1
InChIInChI=1S/C11H18O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h10,12H,3-7H2,1-2H3
InChIKeyYPVIHRAVKXSWIA-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-cyclohexyl-2-methylbut-3-yn-2-ol (CID 23269380) is 4-cyclohexyl-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-cyclohexyl-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-cyclohexyl-2-methylbut-3-yn-2-ol is CC(C)(O)C#CC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-2-methylbut-3-yn-2-ol?
The InChIKey is YPVIHRAVKXSWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h10,12H,3-7H2,1-2H3.
What are the key properties of 4-cyclohexyl-2-methylbut-3-yn-2-ol?
4-cyclohexyl-2-methylbut-3-yn-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 23269380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).