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

C7H10O2 — CID 11029845

IUPAC2-(hydroxymethyl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1CO
InChIInChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h3,8H,1-2,4-5H2
InChIKeyQMDIIXACBPZLCK-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.66
Rot. Bonds1

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

2-(hydroxymethyl)cyclohex-2-en-1-one (PubChem CID 11029845) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(hydroxymethyl)cyclohex-2-en-1-one
PubChem CID11029845
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-(hydroxymethyl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1CO
InChIInChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h3,8H,1-2,4-5H2
InChIKeyQMDIIXACBPZLCK-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)cyclohex-2-en-1-one?
The IUPAC name of 2-(hydroxymethyl)cyclohex-2-en-1-one (CID 11029845) is 2-(hydroxymethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(hydroxymethyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(hydroxymethyl)cyclohex-2-en-1-one is O=C1CCCC=C1CO.
What is the InChIKey of 2-(hydroxymethyl)cyclohex-2-en-1-one?
The InChIKey is QMDIIXACBPZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h3,8H,1-2,4-5H2.
What are the key properties of 2-(hydroxymethyl)cyclohex-2-en-1-one?
2-(hydroxymethyl)cyclohex-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 11029845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).