2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione

C18H20O4 — CID 15981554

IUPAC2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione
SMILESCC(C)C(/C=C/c1ccccc1)=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C18H20O4/c1-12(2)14(11-10-13-8-6-5-7-9-13)15-16(19)21-18(3,4)22-17(15)20/h5-12H,1-4H3/b11-10+
InChIKeyACWZKSORWJJCFA-ZHACJKMWSA-N
MW300.35 g/mol
LogP3.49
Rot. Bonds3

About 2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione

2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione (PubChem CID 15981554) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione
PubChem CID15981554
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione
SMILESCC(C)C(/C=C/c1ccccc1)=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C18H20O4/c1-12(2)14(11-10-13-8-6-5-7-9-13)15-16(19)21-18(3,4)22-17(15)20/h5-12H,1-4H3/b11-10+
InChIKeyACWZKSORWJJCFA-ZHACJKMWSA-N
XLogP3.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione (CID 15981554) is 2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione is CC(C)C(/C=C/c1ccccc1)=C1C(=O)OC(C)(C)OC1=O.
What is the InChIKey of 2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione?
The InChIKey is ACWZKSORWJJCFA-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H20O4/c1-12(2)14(11-10-13-8-6-5-7-9-13)15-16(19)21-18(3,4)22-17(15)20/h5-12H,1-4H3/b11-10+.
What are the key properties of 2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione has a molecular weight of 300.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(E)-4-methyl-1-phenylpent-1-en-3-ylidene]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 15981554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).