3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one

C12H18O3 — CID 14038433

IUPAC3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CCC(=O)C=C1COCOC
InChIInChI=1S/C12H18O3/c1-9(2)12-5-4-11(13)6-10(12)7-15-8-14-3/h6,12H,1,4-5,7-8H2,2-3H3
InChIKeyXUSOAMIBPLCZGO-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.09
Rot. Bonds5

About 3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one

3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 14038433) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID14038433
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CCC(=O)C=C1COCOC
InChIInChI=1S/C12H18O3/c1-9(2)12-5-4-11(13)6-10(12)7-15-8-14-3/h6,12H,1,4-5,7-8H2,2-3H3
InChIKeyXUSOAMIBPLCZGO-UHFFFAOYSA-N
XLogP2.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.09
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 3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-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

[(4S)-3-oxo-4-propan-2-ylcyclohexen-1-yl]methyl acetate
CID 101656905
(2S,3E,7E,11S)-2-(methoxymethoxy)-4,8,11-trimethyl-15-methylidenebicyclo[9.3.1]pentadeca-1(14),3,7-trien-13-one
CID 24178868
methyl 2-[(1R)-4-methyl-5-oxocyclohex-3-en-1-yl]prop-2-enyl carbonate
CID 134966391
2-(Methoxymethoxymethyl)cyclohex-2-en-1-one
CID 162410322
(4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one
CID 162418960
2-Cyclohexen-1-one, 3-[(acetyloxy)methyl]-6-(1-methylethyl)-
CID 572551
3-(Dimethoxymethyl)cyclohex-2-en-1-one
CID 15011942
(4S)-4-(2-methoxypropan-2-yloxy)-2,6,6-trimethylcyclohex-2-en-1-one
CID 54482750
4-(2-Methoxypropan-2-yloxy)-2,6,6-trimethylcyclohex-2-en-1-one
CID 57151081
Methyl 2-cyclohexyl-5-(methoxymethoxy)pent-2-enoate
CID 69628728
3-Methyl-6-[(4-methyl-1,3-dioxetan-2-yl)methyl]cyclohex-2-en-1-one
CID 70339290
(4S,5S,6S)-4-(methoxymethoxy)-2,3,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-one
CID 118242773

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one (CID 14038433) is 3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)C1CCC(=O)C=C1COCOC.
What is the InChIKey of 3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is XUSOAMIBPLCZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9(2)12-5-4-11(13)6-10(12)7-15-8-14-3/h6,12H,1,4-5,7-8H2,2-3H3.
What are the key properties of 3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one?
3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 210.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 14038433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).