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

C7H10O2 — CID 90866774

IUPAC6-(hydroxymethyl)cyclohex-2-en-1-one
SMILESO=C1C=CCCC1CO
InChIInChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h2,4,6,8H,1,3,5H2
InChIKeyMQYUPVZJZTVTCF-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.51
Rot. Bonds1

About 6-(hydroxymethyl)cyclohex-2-en-1-one

6-(hydroxymethyl)cyclohex-2-en-1-one (PubChem CID 90866774) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 6-(hydroxymethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(hydroxymethyl)cyclohex-2-en-1-one
PubChem CID90866774
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name6-(hydroxymethyl)cyclohex-2-en-1-one
SMILESO=C1C=CCCC1CO
InChIInChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h2,4,6,8H,1,3,5H2
InChIKeyMQYUPVZJZTVTCF-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 6-(hydroxymethyl)cyclohex-2-en-1-one?
The IUPAC name of 6-(hydroxymethyl)cyclohex-2-en-1-one (CID 90866774) is 6-(hydroxymethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 6-(hydroxymethyl)cyclohex-2-en-1-one?
The canonical SMILES for 6-(hydroxymethyl)cyclohex-2-en-1-one is O=C1C=CCCC1CO.
What is the InChIKey of 6-(hydroxymethyl)cyclohex-2-en-1-one?
The InChIKey is MQYUPVZJZTVTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h2,4,6,8H,1,3,5H2.
What are the key properties of 6-(hydroxymethyl)cyclohex-2-en-1-one?
6-(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 6-(hydroxymethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 90866774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).