ethyl (4Z)-4-methoxyhepta-4,6-dienoate

C10H16O3 — CID 13483537

IUPACethyl (4Z)-4-methoxyhepta-4,6-dienoate
SMILESC=C/C=C(/CCC(=O)OCC)OC
InChIInChI=1S/C10H16O3/c1-4-6-9(12-3)7-8-10(11)13-5-2/h4,6H,1,5,7-8H2,2-3H3/b9-6-
InChIKeyWBDOLYLUBNAHFX-TWGQIWQCSA-N
MW184.23 g/mol
LogP2.05
Rot. Bonds6

About ethyl (4Z)-4-methoxyhepta-4,6-dienoate

ethyl (4Z)-4-methoxyhepta-4,6-dienoate (PubChem CID 13483537) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl (4Z)-4-methoxyhepta-4,6-dienoate.

Molecular Properties

Compound Nameethyl (4Z)-4-methoxyhepta-4,6-dienoate
PubChem CID13483537
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl (4Z)-4-methoxyhepta-4,6-dienoate
SMILESC=C/C=C(/CCC(=O)OCC)OC
InChIInChI=1S/C10H16O3/c1-4-6-9(12-3)7-8-10(11)13-5-2/h4,6H,1,5,7-8H2,2-3H3/b9-6-
InChIKeyWBDOLYLUBNAHFX-TWGQIWQCSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-O-ethyl 1-O-methyl butanedioate
CID 522068
1-O-ethyl 4-O-formyl butanedioate
CID 91193992
ethyl pent-4-enoate;dihydrochloride
CID 175912482
ethyl 4-oxo-4-prop-2-enylperoxybutanoate
CID 159924805
diethyl 4-ethylideneheptanedioate
CID 52912519
ethyl 4-formylpent-4-enoate
CID 13223493
ethyl (3Z,4E)-4-formyl-3-prop-2-enylidenehepta-4,6-dienoate
CID 142258194
(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
CID 143496592
ethyl 6-methyl-4-oxohept-6-enoate
CID 15103077
ethyl hept-6-enoate
CID 560341
ethyl 3-prop-2-enoyloxypropanoate
CID 14496496
ethyl (E)-4-methyl-6-oxohex-4-enoate
CID 125476644

Frequently Asked Questions

What is the IUPAC name of ethyl (4Z)-4-methoxyhepta-4,6-dienoate?
The IUPAC name of ethyl (4Z)-4-methoxyhepta-4,6-dienoate (CID 13483537) is ethyl (4Z)-4-methoxyhepta-4,6-dienoate.
What is the SMILES notation for ethyl (4Z)-4-methoxyhepta-4,6-dienoate?
The canonical SMILES for ethyl (4Z)-4-methoxyhepta-4,6-dienoate is C=C/C=C(/CCC(=O)OCC)OC.
What is the InChIKey of ethyl (4Z)-4-methoxyhepta-4,6-dienoate?
The InChIKey is WBDOLYLUBNAHFX-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-6-9(12-3)7-8-10(11)13-5-2/h4,6H,1,5,7-8H2,2-3H3/b9-6-.
What are the key properties of ethyl (4Z)-4-methoxyhepta-4,6-dienoate?
ethyl (4Z)-4-methoxyhepta-4,6-dienoate has a molecular weight of 184.23 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4Z)-4-methoxyhepta-4,6-dienoate is sourced from PubChem (CID 13483537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).