1-cyclohexyl-2-hydroxyethanone

C8H14O2 — CID 10920615

IUPAC1-cyclohexyl-2-hydroxyethanone
SMILESO=C(CO)C1CCCCC1
InChIInChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h7,9H,1-6H2
InChIKeyXGIFYZPGSSZKMZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds2

About 1-cyclohexyl-2-hydroxyethanone

1-cyclohexyl-2-hydroxyethanone (PubChem CID 10920615) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-cyclohexyl-2-hydroxyethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-hydroxyethanone
PubChem CID10920615
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-cyclohexyl-2-hydroxyethanone
SMILESO=C(CO)C1CCCCC1
InChIInChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h7,9H,1-6H2
InChIKeyXGIFYZPGSSZKMZ-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

1-Acetylcyclohexanol
CID 70745
2-(Hydroxymethyl)cyclohexanone
CID 21406
2-Cyclohexyl-2-hydroxyacetic acid
CID 271989
(2R)-2-cyclohexyl-2-hydroxyacetic acid
CID 819914
3-Cyclohexyl-2-oxopropanoic acid
CID 11953639
4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one
CID 184824
alpha-Oxocyclohexaneacetic acid
CID 78060
2-(3-Hydroxypropyl)cyclododecanone
CID 10130987
2-(3-Hydroxypropyl)cyclohexan-1-one
CID 12244234
2-Ethyl-2-hydroxycyclohexan-1-one
CID 12395952
3-Hydroxy-2-methyltridecan-4-one
CID 57398496
(2s)-Cyclohexyl(hydroxy)acetic acid
CID 819912

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-hydroxyethanone?
The IUPAC name of 1-cyclohexyl-2-hydroxyethanone (CID 10920615) is 1-cyclohexyl-2-hydroxyethanone.
What is the SMILES notation for 1-cyclohexyl-2-hydroxyethanone?
The canonical SMILES for 1-cyclohexyl-2-hydroxyethanone is O=C(CO)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-hydroxyethanone?
The InChIKey is XGIFYZPGSSZKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h7,9H,1-6H2.
What are the key properties of 1-cyclohexyl-2-hydroxyethanone?
1-cyclohexyl-2-hydroxyethanone has a molecular weight of 142.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-hydroxyethanone is sourced from PubChem (CID 10920615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).