[(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate

C14H20O4 — CID 173501903

IUPAC[(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate
SMILESCC(/C=C(\C)/OC(=O)C=C)OC(C)(C)C(=O)C=C
InChIInChI=1S/C14H20O4/c1-7-12(15)14(5,6)18-11(4)9-10(3)17-13(16)8-2/h7-9,11H,1-2H2,3-6H3/b10-9+
InChIKeyNDIPLDDQYYZKGQ-MDZDMXLPSA-N
MW252.31 g/mol
LogP2.40
Rot. Bonds8

About [(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate

[(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate (PubChem CID 173501903) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate
PubChem CID173501903
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name[(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate
SMILESCC(/C=C(\C)/OC(=O)C=C)OC(C)(C)C(=O)C=C
InChIInChI=1S/C14H20O4/c1-7-12(15)14(5,6)18-11(4)9-10(3)17-13(16)8-2/h7-9,11H,1-2H2,3-6H3/b10-9+
InChIKeyNDIPLDDQYYZKGQ-MDZDMXLPSA-N
XLogP2.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity377

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate 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

Tert-butyl 4-methoxy-5-oxocyclohepta-1,3,6-triene-1-carboxylate
CID 15642661
Ethyl 2-methyl-5-oxo-4-prop-2-enoxyfuran-2-carboxylate
CID 101842016
dipropan-2-yl (E)-4-oxopent-2-enedioate
CID 70676166
2-Methyl-4-oxo-4H-pyran-3-yl 2-methyl-pent-2-en-1-oate
CID 16206045
Maltol-2-methyl-2-pentenoate, (Z)-
CID 93484455
methyl (E)-4-(2,5-dimethyl-3-oxofuran-2-yl)but-2-enoate
CID 100994425
2-Acetoxy-5-methoxy-2-methyl-cyclohexadienon
CID 129647917
methyl (E)-3-(2,5-dimethyl-3-oxofuran-2-yl)prop-2-enoate
CID 146018831
ethyl (E)-3-(2,5-dimethyl-3-oxofuran-2-yl)but-2-enoate
CID 146018833
2-methyl-4-oxo-4H-pyran-3-yl 2-methylpent-2-enoate
CID 53424699
5-Acetoxy-4-oxohex-2-enoic acid, methyl ester
CID 5363724
2-(2,6,6-Trimethyl-5-oxopyran-2-yl)ethyl acetate
CID 11053346

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate?
The IUPAC name of [(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate (CID 173501903) is [(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate.
What is the SMILES notation for [(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate?
The canonical SMILES for [(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate is CC(/C=C(\C)/OC(=O)C=C)OC(C)(C)C(=O)C=C.
What is the InChIKey of [(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate?
The InChIKey is NDIPLDDQYYZKGQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H20O4/c1-7-12(15)14(5,6)18-11(4)9-10(3)17-13(16)8-2/h7-9,11H,1-2H2,3-6H3/b10-9+.
What are the key properties of [(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate?
[(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(2-methyl-3-oxopent-4-en-2-yl)oxypent-2-en-2-yl] prop-2-enoate is sourced from PubChem (CID 173501903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).