4-hydroxy-4-(methoxymethyl)cyclohexan-1-one

C8H14O3 — CID 79568232

IUPAC4-hydroxy-4-(methoxymethyl)cyclohexan-1-one
SMILESCOCC1(O)CCC(=O)CC1
InChIInChI=1S/C8H14O3/c1-11-6-8(10)4-2-7(9)3-5-8/h10H,2-6H2,1H3
InChIKeyBAERYYRYECBNPF-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.51
Rot. Bonds2

About 4-hydroxy-4-(methoxymethyl)cyclohexan-1-one

4-hydroxy-4-(methoxymethyl)cyclohexan-1-one (PubChem CID 79568232) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-hydroxy-4-(methoxymethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(methoxymethyl)cyclohexan-1-one
PubChem CID79568232
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-hydroxy-4-(methoxymethyl)cyclohexan-1-one
SMILESCOCC1(O)CCC(=O)CC1
InChIInChI=1S/C8H14O3/c1-11-6-8(10)4-2-7(9)3-5-8/h10H,2-6H2,1H3
InChIKeyBAERYYRYECBNPF-UHFFFAOYSA-N
XLogP0.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-4-(methoxymethyl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Hydroxy-2-methylpropoxy)-4-methylcyclohexanone
CID 67009890
4-(Butoxymethyl)-4-hydroxycyclohexan-1-one
CID 68045702
4-Hydroxy-4-(hydroxymethyl)cyclohexan-1-one
CID 70093342
4-Methoxy-4-(methoxymethyl)cyclohexanone
CID 85743131
4-hydroxy-4-[[(3S)-oxolan-3-yl]oxymethyl]cyclohexan-1-one
CID 89975159
5-Hydroxy-6-methoxy-5-methylhexan-2-one
CID 91393001
4-(Hydroxymethyl)-4-methoxycyclohexan-1-one
CID 123237522
4-Hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one
CID 123986923
2-Hydroxy-2-(methoxymethyl)cyclohexanone
CID 12660932
2-(2-Hydroxy-3-methoxypropyl)cyclohexan-1-one
CID 21868125
2-(2-Hydroxy-3-propan-2-yloxypropyl)cyclohexan-1-one
CID 79428435
2-(3-Ethoxy-2-hydroxypropyl)cyclohexan-1-one
CID 79429207

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(methoxymethyl)cyclohexan-1-one?
The IUPAC name of 4-hydroxy-4-(methoxymethyl)cyclohexan-1-one (CID 79568232) is 4-hydroxy-4-(methoxymethyl)cyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-4-(methoxymethyl)cyclohexan-1-one?
The canonical SMILES for 4-hydroxy-4-(methoxymethyl)cyclohexan-1-one is COCC1(O)CCC(=O)CC1.
What is the InChIKey of 4-hydroxy-4-(methoxymethyl)cyclohexan-1-one?
The InChIKey is BAERYYRYECBNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-11-6-8(10)4-2-7(9)3-5-8/h10H,2-6H2,1H3.
What are the key properties of 4-hydroxy-4-(methoxymethyl)cyclohexan-1-one?
4-hydroxy-4-(methoxymethyl)cyclohexan-1-one has a molecular weight of 158.20 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(methoxymethyl)cyclohexan-1-one is sourced from PubChem (CID 79568232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).