methyl (4Z)-3-methylidenehepta-4,6-dienoate

C9H12O2 — CID 143290496

IUPACmethyl (4Z)-3-methylidenehepta-4,6-dienoate
SMILESC=C/C=C\C(=C)CC(=O)OC
InChIInChI=1S/C9H12O2/c1-4-5-6-8(2)7-9(10)11-3/h4-6H,1-2,7H2,3H3/b6-5-
InChIKeyLLVKDHDPOMBXBE-WAYWQWQTSA-N
MW152.19 g/mol
LogP1.85
Rot. Bonds4

About methyl (4Z)-3-methylidenehepta-4,6-dienoate

methyl (4Z)-3-methylidenehepta-4,6-dienoate (PubChem CID 143290496) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is methyl (4Z)-3-methylidenehepta-4,6-dienoate.

Molecular Properties

Compound Namemethyl (4Z)-3-methylidenehepta-4,6-dienoate
PubChem CID143290496
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namemethyl (4Z)-3-methylidenehepta-4,6-dienoate
SMILESC=C/C=C\C(=C)CC(=O)OC
InChIInChI=1S/C9H12O2/c1-4-5-6-8(2)7-9(10)11-3/h4-6H,1-2,7H2,3H3/b6-5-
InChIKeyLLVKDHDPOMBXBE-WAYWQWQTSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
methyl 4-oxoocta-5,7-dienoate
CID 57042695
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
methyl hepta-4,6-dienoate
CID 53405107
ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene
CID 143500367
N-(2-methylidenehexa-3,5-dienyl)acetamide
CID 123691592
ethane;methyl N-amino-N-[(4Z)-3-methylidenehepta-4,6-dienyl]carbamate
CID 143852842
(3E)-1-methoxyhexa-3,5-dien-2-one
CID 131241079
methyl 3-amino-4-[(3Z)-2-methylidenehexa-3,5-dienyl]-1H-pyrrole-2-carboxylate
CID 144940139
ethane;(2Z)-penta-2,4-dienamide
CID 143902044
trisodium;3-O-formyl 1-O-methyl propanedioate;hydride
CID 173454112
7-methyl-5-methylideneocta-1,3-diene
CID 123347446

Frequently Asked Questions

What is the IUPAC name of methyl (4Z)-3-methylidenehepta-4,6-dienoate?
The IUPAC name of methyl (4Z)-3-methylidenehepta-4,6-dienoate (CID 143290496) is methyl (4Z)-3-methylidenehepta-4,6-dienoate.
What is the SMILES notation for methyl (4Z)-3-methylidenehepta-4,6-dienoate?
The canonical SMILES for methyl (4Z)-3-methylidenehepta-4,6-dienoate is C=C/C=C\C(=C)CC(=O)OC.
What is the InChIKey of methyl (4Z)-3-methylidenehepta-4,6-dienoate?
The InChIKey is LLVKDHDPOMBXBE-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-5-6-8(2)7-9(10)11-3/h4-6H,1-2,7H2,3H3/b6-5-.
What are the key properties of methyl (4Z)-3-methylidenehepta-4,6-dienoate?
methyl (4Z)-3-methylidenehepta-4,6-dienoate has a molecular weight of 152.19 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-3-methylidenehepta-4,6-dienoate is sourced from PubChem (CID 143290496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).