(2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid

C9H10O2 — CID 129259251

IUPAC(2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid
SMILESC=C/C=C\C=C(/C=C)C(=O)O
InChIInChI=1S/C9H10O2/c1-3-5-6-7-8(4-2)9(10)11/h3-7H,1-2H2,(H,10,11)/b6-5-,8-7+
InChIKeyKVLHHCOIJXRVQE-IGTJQSIKSA-N
MW150.18 g/mol
LogP1.93
Rot. Bonds4

About (2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid

(2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid (PubChem CID 129259251) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid.

Molecular Properties

Compound Name(2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid
PubChem CID129259251
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid
SMILESC=C/C=C\C=C(/C=C)C(=O)O
InChIInChI=1S/C9H10O2/c1-3-5-6-7-8(4-2)9(10)11/h3-7H,1-2H2,(H,10,11)/b6-5-,8-7+
InChIKeyKVLHHCOIJXRVQE-IGTJQSIKSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid?
The IUPAC name of (2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid (CID 129259251) is (2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid.
What is the SMILES notation for (2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid?
The canonical SMILES for (2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid is C=C/C=C\C=C(/C=C)C(=O)O.
What is the InChIKey of (2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid?
The InChIKey is KVLHHCOIJXRVQE-IGTJQSIKSA-N. The full InChI is InChI=1S/C9H10O2/c1-3-5-6-7-8(4-2)9(10)11/h3-7H,1-2H2,(H,10,11)/b6-5-,8-7+.
What are the key properties of (2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid?
(2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid has a molecular weight of 150.18 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid is sourced from PubChem (CID 129259251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).