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

C8H14O3 — CID 10583057

IUPAC6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one
SMILESCC1(CO)CCCC(O)C1=O
InChIInChI=1S/C8H14O3/c1-8(5-9)4-2-3-6(10)7(8)11/h6,9-10H,2-5H2,1H3
InChIKeyORWGXBOTJVLFLP-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.10
Rot. Bonds1

About 6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one

6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one (PubChem CID 10583057) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one
PubChem CID10583057
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one
SMILESCC1(CO)CCCC(O)C1=O
InChIInChI=1S/C8H14O3/c1-8(5-9)4-2-3-6(10)7(8)11/h6,9-10H,2-5H2,1H3
InChIKeyORWGXBOTJVLFLP-UHFFFAOYSA-N
XLogP0.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one?
The IUPAC name of 6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one (CID 10583057) is 6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one.
What is the SMILES notation for 6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one?
The canonical SMILES for 6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one is CC1(CO)CCCC(O)C1=O.
What is the InChIKey of 6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one?
The InChIKey is ORWGXBOTJVLFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(5-9)4-2-3-6(10)7(8)11/h6,9-10H,2-5H2,1H3.
What are the key properties of 6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one?
6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one has a molecular weight of 158.20 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one is sourced from PubChem (CID 10583057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).