4-(hydroxymethyl)cyclohex-2-en-1-one

C7H10O2 — CID 24973928

IUPAC4-(hydroxymethyl)cyclohex-2-en-1-one
SMILESO=C1C=CC(CO)CC1
InChIInChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h1,3,6,8H,2,4-5H2
InChIKeyVZDDVSRQRADOHJ-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.51
Rot. Bonds1

About 4-(hydroxymethyl)cyclohex-2-en-1-one

4-(hydroxymethyl)cyclohex-2-en-1-one (PubChem CID 24973928) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 4-(hydroxymethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(hydroxymethyl)cyclohex-2-en-1-one
PubChem CID24973928
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name4-(hydroxymethyl)cyclohex-2-en-1-one
SMILESO=C1C=CC(CO)CC1
InChIInChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h1,3,6,8H,2,4-5H2
InChIKeyVZDDVSRQRADOHJ-UHFFFAOYSA-N
XLogP0.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-3-(4-oxocyclohex-2-en-1-yl)propanoic acid
CID 123591457
(4S)-4-prop-2-enylcyclohex-2-en-1-one
CID 93148193
4-(3-methylbut-2-enyl)cyclohex-2-en-1-one
CID 13213616
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 11402212
4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one
CID 177438717
(4R)-4-(2-phenylmethoxyethyl)cyclohex-2-en-1-one
CID 132584785
4-[(Z)-7-chloro-3-trimethylstannylhept-2-enyl]cyclohex-2-en-1-one
CID 177422807
(1R,7S)-8,8-dimethylbicyclo[5.1.0]oct-2-en-4-one
CID 12835791
4-(5-oxohexan-2-yl)cyclohex-2-en-1-one
CID 123181960
4-methylcyclooct-2-en-1-one
CID 91000254
[(1R,4S)-4-aminocyclohex-2-en-1-yl]methanol
CID 45078780
4-[3-[2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-phenylcyclopropyl]propyl]cyclohex-2-en-1-one
CID 15402494

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)cyclohex-2-en-1-one?
The IUPAC name of 4-(hydroxymethyl)cyclohex-2-en-1-one (CID 24973928) is 4-(hydroxymethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 4-(hydroxymethyl)cyclohex-2-en-1-one?
The canonical SMILES for 4-(hydroxymethyl)cyclohex-2-en-1-one is O=C1C=CC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)cyclohex-2-en-1-one?
The InChIKey is VZDDVSRQRADOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h1,3,6,8H,2,4-5H2.
What are the key properties of 4-(hydroxymethyl)cyclohex-2-en-1-one?
4-(hydroxymethyl)cyclohex-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 24973928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).