diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate

C16H24O4 — CID 14909364

IUPACdiethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate
SMILESC=C(C=C(C)C)C/C(=C\CC(=O)OCC)C(=O)OCC
InChIInChI=1S/C16H24O4/c1-6-19-15(17)9-8-14(16(18)20-7-2)11-13(5)10-12(3)4/h8,10H,5-7,9,11H2,1-4H3/b14-8+
InChIKeyQGVPIOBLSHPIOJ-RIYZIHGNSA-N
MW280.36 g/mol
LogP3.34
Rot. Bonds8

About diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate

diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate (PubChem CID 14909364) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate.

Molecular Properties

Compound Namediethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate
PubChem CID14909364
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Namediethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate
SMILESC=C(C=C(C)C)C/C(=C\CC(=O)OCC)C(=O)OCC
InChIInChI=1S/C16H24O4/c1-6-19-15(17)9-8-14(16(18)20-7-2)11-13(5)10-12(3)4/h8,10H,5-7,9,11H2,1-4H3/b14-8+
InChIKeyQGVPIOBLSHPIOJ-RIYZIHGNSA-N
XLogP3.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate?
The IUPAC name of diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate (CID 14909364) is diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate.
What is the SMILES notation for diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate?
The canonical SMILES for diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate is C=C(C=C(C)C)C/C(=C\CC(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate?
The InChIKey is QGVPIOBLSHPIOJ-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H24O4/c1-6-19-15(17)9-8-14(16(18)20-7-2)11-13(5)10-12(3)4/h8,10H,5-7,9,11H2,1-4H3/b14-8+.
What are the key properties of diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate?
diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate has a molecular weight of 280.36 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (E)-2-(4-methyl-2-methylidenepent-3-enyl)pent-2-enedioate is sourced from PubChem (CID 14909364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).