(5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one

C12H16O4 — CID 121000834

IUPAC(5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one
SMILESCO/C=C1\CC=C(C2(C)OCCO2)C(=O)C1
InChIInChI=1S/C12H16O4/c1-12(15-5-6-16-12)10-4-3-9(8-14-2)7-11(10)13/h4,8H,3,5-7H2,1-2H3/b9-8+
InChIKeyDQVCWPCENVCWIR-CMDGGOBGSA-N
MW224.26 g/mol
LogP1.57
Rot. Bonds2

About (5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one

(5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one (PubChem CID 121000834) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one
PubChem CID121000834
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one
SMILESCO/C=C1\CC=C(C2(C)OCCO2)C(=O)C1
InChIInChI=1S/C12H16O4/c1-12(15-5-6-16-12)10-4-3-9(8-14-2)7-11(10)13/h4,8H,3,5-7H2,1-2H3/b9-8+
InChIKeyDQVCWPCENVCWIR-CMDGGOBGSA-N
XLogP1.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-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

Ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate
CID 11790518
(3aR,7aS)-2,2,6-trimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one
CID 134856085
2-(2-Methyl-3-oxocyclohexen-1-yl)oxyethyl prop-2-enyl carbonate
CID 135019253
4,4-Dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one
CID 10798503
Methyl 8-oxo-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 11287305
2-(Prop-1-enoxymethoxymethyl)cyclohex-2-en-1-one
CID 57796766
Ethyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 141509796
1-(1,4-Dioxaspiro[4.5]dec-6-en-6-yl)-7-methyloct-6-en-1-one
CID 10989560
(2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-6-prop-2-enyloxan-4-one
CID 11231696
Methyl 6-(1,4-dioxaspiro[4.4]non-8-en-9-yl)-6-oxohexanoate
CID 12051009
2-(Diethoxymethyl)cyclohex-2-en-1-one
CID 12698316
1-(1,4-Dioxaspiro[4.4]non-8-en-9-yl)octan-1-one
CID 14427989

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one?
The IUPAC name of (5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one (CID 121000834) is (5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for (5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for (5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one is CO/C=C1\CC=C(C2(C)OCCO2)C(=O)C1.
What is the InChIKey of (5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one?
The InChIKey is DQVCWPCENVCWIR-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H16O4/c1-12(15-5-6-16-12)10-4-3-9(8-14-2)7-11(10)13/h4,8H,3,5-7H2,1-2H3/b9-8+.
What are the key properties of (5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one?
(5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one has a molecular weight of 224.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(methoxymethylidene)-2-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 121000834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).