ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate

C13H20O2 — CID 144601913

IUPACethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate
SMILESC=C/C=C(C(=O)OC=C)\C(C)=C/C.CC
InChIInChI=1S/C11H14O2.C2H6/c1-5-8-10(9(4)6-2)11(12)13-7-3;1-2/h5-8H,1,3H2,2,4H3;1-2H3/b9-6-,10-8+;
InChIKeyRPLMGDOLKPPNJB-MPDHYTMWSA-N
MW208.30 g/mol
LogP3.78
Rot. Bonds4

About ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate

ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate (PubChem CID 144601913) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate.

Molecular Properties

Compound Nameethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate
PubChem CID144601913
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nameethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate
SMILESC=C/C=C(C(=O)OC=C)\C(C)=C/C.CC
InChIInChI=1S/C11H14O2.C2H6/c1-5-8-10(9(4)6-2)11(12)13-7-3;1-2/h5-8H,1,3H2,2,4H3;1-2H3/b9-6-,10-8+;
InChIKeyRPLMGDOLKPPNJB-MPDHYTMWSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate 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

ethenyl 2-methyl-4-oxobut-2-enoate
CID 123561703
bis(ethenyl) (Z)-2-methylbut-2-enedioate
CID 11819677
ethenyl 2-methyl-3-silylprop-2-enoate
CID 173461885
(3E)-3-[(E)-1-hydroxyprop-1-enyl]hexa-3,5-dien-2-one
CID 142088410
ethenyl hydrogen carbonate;2-methylpenta-2,4-dienoic acid
CID 173185262
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid
CID 143334790
(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 143334780
ethenyl 2-methylprop-2-enoate isocyanate
CID 22239289
ethenyl 2-acetyloxybut-2-enoate
CID 174371549
ethenyl acetate
CID 7904
ethenyl 2-methylbuta-2,3-dienoate
CID 174869086

Frequently Asked Questions

What is the IUPAC name of ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate?
The IUPAC name of ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate (CID 144601913) is ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate.
What is the SMILES notation for ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate?
The canonical SMILES for ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate is C=C/C=C(C(=O)OC=C)\C(C)=C/C.CC.
What is the InChIKey of ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate?
The InChIKey is RPLMGDOLKPPNJB-MPDHYTMWSA-N. The full InChI is InChI=1S/C11H14O2.C2H6/c1-5-8-10(9(4)6-2)11(12)13-7-3;1-2/h5-8H,1,3H2,2,4H3;1-2H3/b9-6-,10-8+;.
What are the key properties of ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate?
ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate has a molecular weight of 208.30 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenyl (2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate is sourced from PubChem (CID 144601913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).