2-(hydroxymethyl)-2-methylcyclohexan-1-one

C8H14O2 — CID 11355532

IUPAC2-(hydroxymethyl)-2-methylcyclohexan-1-one
SMILESCC1(CO)CCCCC1=O
InChIInChI=1S/C8H14O2/c1-8(6-9)5-3-2-4-7(8)10/h9H,2-6H2,1H3
InChIKeyDZDMVKOFZZKCSM-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds1

About 2-(hydroxymethyl)-2-methylcyclohexan-1-one

2-(hydroxymethyl)-2-methylcyclohexan-1-one (PubChem CID 11355532) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methylcyclohexan-1-one
PubChem CID11355532
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(hydroxymethyl)-2-methylcyclohexan-1-one
SMILESCC1(CO)CCCCC1=O
InChIInChI=1S/C8H14O2/c1-8(6-9)5-3-2-4-7(8)10/h9H,2-6H2,1H3
InChIKeyDZDMVKOFZZKCSM-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methylcyclohexan-1-one?
The IUPAC name of 2-(hydroxymethyl)-2-methylcyclohexan-1-one (CID 11355532) is 2-(hydroxymethyl)-2-methylcyclohexan-1-one.
What is the SMILES notation for 2-(hydroxymethyl)-2-methylcyclohexan-1-one?
The canonical SMILES for 2-(hydroxymethyl)-2-methylcyclohexan-1-one is CC1(CO)CCCCC1=O.
What is the InChIKey of 2-(hydroxymethyl)-2-methylcyclohexan-1-one?
The InChIKey is DZDMVKOFZZKCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(6-9)5-3-2-4-7(8)10/h9H,2-6H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-methylcyclohexan-1-one?
2-(hydroxymethyl)-2-methylcyclohexan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methylcyclohexan-1-one is sourced from PubChem (CID 11355532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).