4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one

C13H20O3 — CID 10933112

IUPAC4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1(COCOC)C=CC(=O)C(C)C1
InChIInChI=1S/C13H20O3/c1-4-6-13(9-16-10-15-3)7-5-12(14)11(2)8-13/h4-5,7,11H,1,6,8-10H2,2-3H3
InChIKeyGJBMWIMOSPUISC-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.33
Rot. Bonds6

About 4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one

4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one (PubChem CID 10933112) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one
PubChem CID10933112
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCC1(COCOC)C=CC(=O)C(C)C1
InChIInChI=1S/C13H20O3/c1-4-6-13(9-16-10-15-3)7-5-12(14)11(2)8-13/h4-5,7,11H,1,6,8-10H2,2-3H3
InChIKeyGJBMWIMOSPUISC-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-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

5-(2-Methoxyethyl)-6,6-dimethylcyclohex-2-enone
CID 21580131
(4R,5R)-4-(dimethoxymethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 138606720
4-[2-(Methoxymethoxy)ethyl]-4-prop-2-enylcyclohex-2-en-1-one
CID 11106996
(4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one
CID 162418960
4-[1,3]Dioxolan-2-yl-3,4-dimethyl-cyclohex-2-enone
CID 552123
4-(Dimethoxymethyl)-3,4-dimethyl-2-cyclohexen-1-one
CID 554374
4-[1,3]Dioxan-2-yl-3,4-dimethylcyclohex-2-enone
CID 560108
(5R,6R)-6-(3,3-diethoxypropyl)-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 11066324
4-(Dimethoxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 13374312
4-(Diethoxymethyl)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
CID 71321453
5-(5-Ethyl-1,3-dioxan-5-yl)pent-1-en-3-one
CID 89900572
(4R)-4-(dimethoxymethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 138606719

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of 4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one (CID 10933112) is 4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for 4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for 4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one is C=CCC1(COCOC)C=CC(=O)C(C)C1.
What is the InChIKey of 4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is GJBMWIMOSPUISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-6-13(9-16-10-15-3)7-5-12(14)11(2)8-13/h4-5,7,11H,1,6,8-10H2,2-3H3.
What are the key properties of 4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one?
4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 224.30 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxymethyl)-6-methyl-4-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 10933112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).