2-hydroxycyclohexan-1-one

C6H10O2 — CID 10785

IUPAC2-hydroxycyclohexan-1-one
SMILESO=C1CCCCC1O
InChIInChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2
InChIKeyODZTXUXIYGJLMC-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.49
Rot. Bonds

About 2-hydroxycyclohexan-1-one

2-hydroxycyclohexan-1-one (PubChem CID 10785) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name2-hydroxycyclohexan-1-one
PubChem CID10785
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-hydroxycyclohexan-1-one
SMILESO=C1CCCCC1O
InChIInChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2
InChIKeyODZTXUXIYGJLMC-UHFFFAOYSA-N
XLogP0.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxycyclohexan-1-one?
The IUPAC name of 2-hydroxycyclohexan-1-one (CID 10785) is 2-hydroxycyclohexan-1-one.
What is the SMILES notation for 2-hydroxycyclohexan-1-one?
The canonical SMILES for 2-hydroxycyclohexan-1-one is O=C1CCCCC1O.
What is the InChIKey of 2-hydroxycyclohexan-1-one?
The InChIKey is ODZTXUXIYGJLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2.
What are the key properties of 2-hydroxycyclohexan-1-one?
2-hydroxycyclohexan-1-one has a molecular weight of 114.14 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxycyclohexan-1-one is sourced from PubChem (CID 10785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).