methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate

C10H14O2 — CID 143172272

IUPACmethyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
SMILESC/C=C\C(=C/C=C/C)C(=O)OC
InChIInChI=1S/C10H14O2/c1-4-6-8-9(7-5-2)10(11)12-3/h4-8H,1-3H3/b6-4+,7-5-,9-8+
InChIKeyFETLDXBVBYXSJT-PQWITGTASA-N
MW166.22 g/mol
LogP2.24
Rot. Bonds3

About methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate

methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate (PubChem CID 143172272) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
PubChem CID143172272
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namemethyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
SMILESC/C=C\C(=C/C=C/C)C(=O)OC
InChIInChI=1S/C10H14O2/c1-4-6-8-9(7-5-2)10(11)12-3/h4-8H,1-3H3/b6-4+,7-5-,9-8+
InChIKeyFETLDXBVBYXSJT-PQWITGTASA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.24
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

methyl 2-prop-1-enylpenta-2,4-dienoate
CID 123933985
methyl 2-prop-1-enyltrideca-2,4-dienoate
CID 175883901
methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate
CID 175637730
[(3Z)-5-methoxycarbonylhexa-1,3,5-trien-2-yl] (2E,4E)-2-ethenylhexa-2,4-dienoate
CID 130242351
(2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one
CID 142047884
(3-hydroxyphenyl) (2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
CID 126707992
methyl 2-ethenylhepta-2,4,6-trienoate
CID 91067832
methyl (2E)-2-[(E)-prop-1-enyl]trideca-2,12-dienoate
CID 134979438
(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 130346277
methyl (E)-2-formylbut-2-enoate
CID 13359377
methyl 2,3-dimethylhexa-2,4-dienoate
CID 72585476
dimethyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate
CID 135008119

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate (CID 143172272) is methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate is C/C=C\C(=C/C=C/C)C(=O)OC.
What is the InChIKey of methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate?
The InChIKey is FETLDXBVBYXSJT-PQWITGTASA-N. The full InChI is InChI=1S/C10H14O2/c1-4-6-8-9(7-5-2)10(11)12-3/h4-8H,1-3H3/b6-4+,7-5-,9-8+.
What are the key properties of methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate?
methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate has a molecular weight of 166.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate is sourced from PubChem (CID 143172272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).