2-(1-hydroxybutyl)cyclohexan-1-one

C10H18O2 — CID 10397222

IUPAC2-(1-hydroxybutyl)cyclohexan-1-one
SMILESCCCC(O)C1CCCCC1=O
InChIInChI=1S/C10H18O2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h8-9,11H,2-7H2,1H3
InChIKeyBATWHICBOTVWLT-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.91
Rot. Bonds3

About 2-(1-hydroxybutyl)cyclohexan-1-one

2-(1-hydroxybutyl)cyclohexan-1-one (PubChem CID 10397222) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(1-hydroxybutyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-hydroxybutyl)cyclohexan-1-one
PubChem CID10397222
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(1-hydroxybutyl)cyclohexan-1-one
SMILESCCCC(O)C1CCCCC1=O
InChIInChI=1S/C10H18O2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h8-9,11H,2-7H2,1H3
InChIKeyBATWHICBOTVWLT-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutyl)cyclohexan-1-one?
The IUPAC name of 2-(1-hydroxybutyl)cyclohexan-1-one (CID 10397222) is 2-(1-hydroxybutyl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-hydroxybutyl)cyclohexan-1-one?
The canonical SMILES for 2-(1-hydroxybutyl)cyclohexan-1-one is CCCC(O)C1CCCCC1=O.
What is the InChIKey of 2-(1-hydroxybutyl)cyclohexan-1-one?
The InChIKey is BATWHICBOTVWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(1-hydroxybutyl)cyclohexan-1-one?
2-(1-hydroxybutyl)cyclohexan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutyl)cyclohexan-1-one is sourced from PubChem (CID 10397222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).