4-(1-hydroxyethyl)cyclohexan-1-one

C8H14O2 — CID 14482736

IUPAC4-(1-hydroxyethyl)cyclohexan-1-one
SMILESCC(O)C1CCC(=O)CC1
InChIInChI=1S/C8H14O2/c1-6(9)7-2-4-8(10)5-3-7/h6-7,9H,2-5H2,1H3
InChIKeyHULMWORCWDJDCV-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds1

About 4-(1-hydroxyethyl)cyclohexan-1-one

4-(1-hydroxyethyl)cyclohexan-1-one (PubChem CID 14482736) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1-hydroxyethyl)cyclohexan-1-one
PubChem CID14482736
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-(1-hydroxyethyl)cyclohexan-1-one
SMILESCC(O)C1CCC(=O)CC1
InChIInChI=1S/C8H14O2/c1-6(9)7-2-4-8(10)5-3-7/h6-7,9H,2-5H2,1H3
InChIKeyHULMWORCWDJDCV-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)cyclohexan-1-one?
The IUPAC name of 4-(1-hydroxyethyl)cyclohexan-1-one (CID 14482736) is 4-(1-hydroxyethyl)cyclohexan-1-one.
What is the SMILES notation for 4-(1-hydroxyethyl)cyclohexan-1-one?
The canonical SMILES for 4-(1-hydroxyethyl)cyclohexan-1-one is CC(O)C1CCC(=O)CC1.
What is the InChIKey of 4-(1-hydroxyethyl)cyclohexan-1-one?
The InChIKey is HULMWORCWDJDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(9)7-2-4-8(10)5-3-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-(1-hydroxyethyl)cyclohexan-1-one?
4-(1-hydroxyethyl)cyclohexan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)cyclohexan-1-one is sourced from PubChem (CID 14482736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).