[(2E)-penta-2,4-dienyl] prop-2-enoate

C8H10O2 — CID 88501874

IUPAC[(2E)-penta-2,4-dienyl] prop-2-enoate
SMILESC=C/C=C/COC(=O)C=C
InChIInChI=1S/C8H10O2/c1-3-5-6-7-10-8(9)4-2/h3-6H,1-2,7H2/b6-5+
InChIKeyZHDUYGPXZGCIAW-AATRIKPKSA-N
MW138.17 g/mol
LogP1.46
Rot. Bonds4

About [(2E)-penta-2,4-dienyl] prop-2-enoate

[(2E)-penta-2,4-dienyl] prop-2-enoate (PubChem CID 88501874) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is [(2E)-penta-2,4-dienyl] prop-2-enoate.

Molecular Properties

Compound Name[(2E)-penta-2,4-dienyl] prop-2-enoate
PubChem CID88501874
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name[(2E)-penta-2,4-dienyl] prop-2-enoate
SMILESC=C/C=C/COC(=O)C=C
InChIInChI=1S/C8H10O2/c1-3-5-6-7-10-8(9)4-2/h3-6H,1-2,7H2/b6-5+
InChIKeyZHDUYGPXZGCIAW-AATRIKPKSA-N
XLogP1.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

penta-2,4-dienyl hydrogen carbonate
CID 151360859
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
[(Z)-3-chloroprop-2-enyl] prop-2-enoate
CID 5354525
3-hydroxyprop-2-enyl prop-2-enoate;methane
CID 173438743
methane;prop-2-enyl prop-2-enoate
CID 87568259
penta-2,4-dienyl propanoate
CID 54073728
[(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate
CID 88529737
buta-1,3-diene;but-2-enyl prop-2-enoate;prop-2-enoic acid
CID 175280821
[(2E)-octa-2,7-dienyl] prop-2-enoate
CID 12861169
[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-enyl] prop-2-enoate
CID 76599744
but-2-enyl prop-2-enoate;ethene;prop-2-enoic acid
CID 174361149
2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate
CID 173020025

Frequently Asked Questions

What is the IUPAC name of [(2E)-penta-2,4-dienyl] prop-2-enoate?
The IUPAC name of [(2E)-penta-2,4-dienyl] prop-2-enoate (CID 88501874) is [(2E)-penta-2,4-dienyl] prop-2-enoate.
What is the SMILES notation for [(2E)-penta-2,4-dienyl] prop-2-enoate?
The canonical SMILES for [(2E)-penta-2,4-dienyl] prop-2-enoate is C=C/C=C/COC(=O)C=C.
What is the InChIKey of [(2E)-penta-2,4-dienyl] prop-2-enoate?
The InChIKey is ZHDUYGPXZGCIAW-AATRIKPKSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-5-6-7-10-8(9)4-2/h3-6H,1-2,7H2/b6-5+.
What are the key properties of [(2E)-penta-2,4-dienyl] prop-2-enoate?
[(2E)-penta-2,4-dienyl] prop-2-enoate has a molecular weight of 138.17 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-penta-2,4-dienyl] prop-2-enoate is sourced from PubChem (CID 88501874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).