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

C7H10O2 — CID 13073151

IUPAC5-(hydroxymethyl)cyclohex-2-en-1-one
SMILESO=C1C=CCC(CO)C1
InChIInChI=1S/C7H10O2/c8-5-6-2-1-3-7(9)4-6/h1,3,6,8H,2,4-5H2
InChIKeyNUVFIYDLAPHMDI-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.51
Rot. Bonds1

About 5-(hydroxymethyl)cyclohex-2-en-1-one

5-(hydroxymethyl)cyclohex-2-en-1-one (PubChem CID 13073151) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 5-(hydroxymethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(hydroxymethyl)cyclohex-2-en-1-one
PubChem CID13073151
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name5-(hydroxymethyl)cyclohex-2-en-1-one
SMILESO=C1C=CCC(CO)C1
InChIInChI=1S/C7H10O2/c8-5-6-2-1-3-7(9)4-6/h1,3,6,8H,2,4-5H2
InChIKeyNUVFIYDLAPHMDI-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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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)cyclohex-2-en-1-one?
The IUPAC name of 5-(hydroxymethyl)cyclohex-2-en-1-one (CID 13073151) is 5-(hydroxymethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 5-(hydroxymethyl)cyclohex-2-en-1-one?
The canonical SMILES for 5-(hydroxymethyl)cyclohex-2-en-1-one is O=C1C=CCC(CO)C1.
What is the InChIKey of 5-(hydroxymethyl)cyclohex-2-en-1-one?
The InChIKey is NUVFIYDLAPHMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-5-6-2-1-3-7(9)4-6/h1,3,6,8H,2,4-5H2.
What are the key properties of 5-(hydroxymethyl)cyclohex-2-en-1-one?
5-(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 5-(hydroxymethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 13073151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).