(4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one

C22H22O4 — CID 132938400

IUPAC(4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one
SMILESCOC1(C)O/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)O1
InChIInChI=1S/C22H22O4/c1-15-5-9-17(10-6-15)13-19-21(23)20(26-22(3,24-4)25-19)14-18-11-7-16(2)8-12-18/h5-14H,1-4H3/b19-13-,20-14-
InChIKeySLVAGBFKKTWNLJ-AXPXABNXSA-N
MW350.41 g/mol
LogP4.62
Rot. Bonds3

About (4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one

(4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one (PubChem CID 132938400) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is (4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one.

Molecular Properties

Compound Name(4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one
PubChem CID132938400
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name(4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one
SMILESCOC1(C)O/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)O1
InChIInChI=1S/C22H22O4/c1-15-5-9-17(10-6-15)13-19-21(23)20(26-22(3,24-4)25-19)14-18-11-7-16(2)8-12-18/h5-14H,1-4H3/b19-13-,20-14-
InChIKeySLVAGBFKKTWNLJ-AXPXABNXSA-N
XLogP4.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-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

methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 157455661
(2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 18823789
(2E)-2-[(4-methylphenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 10729421
(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-1-benzofuran-3-one
CID 18823534
(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 137309259
(2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one
CID 18823524
[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]phenyl] 4-methylbenzoate
CID 168599696
(2E)-5-methyl-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 91988248
(6E)-2,6-bis[(4-methylphenyl)methylidene]cyclohexan-1-one
CID 6991055
(5Z)-5-benzylidene-4-(4-methylphenyl)furan-2-one
CID 102259031
(5Z)-5-[(4-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697033
2-[(4-methylphenyl)methylidene]-6-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-benzofuran-3-one
CID 5266063

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one?
The IUPAC name of (4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one (CID 132938400) is (4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one.
What is the SMILES notation for (4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one?
The canonical SMILES for (4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one is COC1(C)O/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)O1.
What is the InChIKey of (4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one?
The InChIKey is SLVAGBFKKTWNLJ-AXPXABNXSA-N. The full InChI is InChI=1S/C22H22O4/c1-15-5-9-17(10-6-15)13-19-21(23)20(26-22(3,24-4)25-19)14-18-11-7-16(2)8-12-18/h5-14H,1-4H3/b19-13-,20-14-.
What are the key properties of (4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one?
(4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one has a molecular weight of 350.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one is sourced from PubChem (CID 132938400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).