2-cyclohexylbutan-2-ol

C10H20O — CID 14023764

IUPAC2-cyclohexylbutan-2-ol
SMILESCCC(C)(O)C1CCCCC1
InChIInChI=1S/C10H20O/c1-3-10(2,11)9-7-5-4-6-8-9/h9,11H,3-8H2,1-2H3
InChIKeyICWUMBNYENCDOM-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.73
Rot. Bonds2

About 2-cyclohexylbutan-2-ol

2-cyclohexylbutan-2-ol (PubChem CID 14023764) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-cyclohexylbutan-2-ol.

Molecular Properties

Compound Name2-cyclohexylbutan-2-ol
PubChem CID14023764
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-cyclohexylbutan-2-ol
SMILESCCC(C)(O)C1CCCCC1
InChIInChI=1S/C10H20O/c1-3-10(2,11)9-7-5-4-6-8-9/h9,11H,3-8H2,1-2H3
InChIKeyICWUMBNYENCDOM-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylbutan-2-ol?
The IUPAC name of 2-cyclohexylbutan-2-ol (CID 14023764) is 2-cyclohexylbutan-2-ol.
What is the SMILES notation for 2-cyclohexylbutan-2-ol?
The canonical SMILES for 2-cyclohexylbutan-2-ol is CCC(C)(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylbutan-2-ol?
The InChIKey is ICWUMBNYENCDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-10(2,11)9-7-5-4-6-8-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-cyclohexylbutan-2-ol?
2-cyclohexylbutan-2-ol has a molecular weight of 156.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylbutan-2-ol is sourced from PubChem (CID 14023764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).