sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate

C14H15NaO4 — CID 23662890

IUPACsodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate
SMILESCOc1ccc(/C=C/C(C)=C\C(=O)[O-])c(OC)c1.[Na+]
InChIInChI=1S/C14H16O4.Na/c1-10(8-14(15)16)4-5-11-6-7-12(17-2)9-13(11)18-3;/h4-9H,1-3H3,(H,15,16);/q;+1/p-1/b5-4+,10-8-;
InChIKeyGCPCDXHAIRTMHW-FLFOIRSLSA-M
MW270.26 g/mol
LogP-1.58
Rot. Bonds5

About sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate

sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate (PubChem CID 23662890) has the molecular formula C14H15NaO4 and a molecular weight of 270.26 g/mol. Its IUPAC name is sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate.

Molecular Properties

Compound Namesodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate
PubChem CID23662890
Molecular FormulaC14H15NaO4
Molecular Weight270.26 g/mol
Exact Mass270.09
IUPAC Namesodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate
SMILESCOc1ccc(/C=C/C(C)=C\C(=O)[O-])c(OC)c1.[Na+]
InChIInChI=1S/C14H16O4.Na/c1-10(8-14(15)16)4-5-11-6-7-12(17-2)9-13(11)18-3;/h4-9H,1-3H3,(H,15,16);/q;+1/p-1/b5-4+,10-8-;
InChIKeyGCPCDXHAIRTMHW-FLFOIRSLSA-M
XLogP-1.58
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-1.58
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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Related Compounds

(2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 1368846
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
(E)-4-(2,4-dimethoxyphenyl)-2-oxobut-3-enoic acid
CID 82159207
1-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
CID 175699870
(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 10131464
(4-chlorophenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 732877
(3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 732859
(E)-3-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448321
1-(azepan-1-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 102603138
(E)-N,N-bis(2-chloroethyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 11012991
(E)-1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 10614151
(2R)-2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92920815

Frequently Asked Questions

What is the IUPAC name of sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate?
The IUPAC name of sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate (CID 23662890) is sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate.
What is the SMILES notation for sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate?
The canonical SMILES for sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate is COc1ccc(/C=C/C(C)=C\C(=O)[O-])c(OC)c1.[Na+].
What is the InChIKey of sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate?
The InChIKey is GCPCDXHAIRTMHW-FLFOIRSLSA-M. The full InChI is InChI=1S/C14H16O4.Na/c1-10(8-14(15)16)4-5-11-6-7-12(17-2)9-13(11)18-3;/h4-9H,1-3H3,(H,15,16);/q;+1/p-1/b5-4+,10-8-;.
What are the key properties of sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate?
sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate has a molecular weight of 270.26 g/mol, XLogP of -1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoate is sourced from PubChem (CID 23662890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).