2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate

C11H12O3 — CID 174764747

IUPAC2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate
SMILESC=CC=CC(=C)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C11H12O3/c1-5-6-7-9(4)11(13)14-10(12)8(2)3/h5-7H,1-2,4H2,3H3
InChIKeyZAEYNPQIOCPPJT-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.93
Rot. Bonds4

About 2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate

2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate (PubChem CID 174764747) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate
PubChem CID174764747
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate
SMILESC=CC=CC(=C)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C11H12O3/c1-5-6-7-9(4)11(13)14-10(12)8(2)3/h5-7H,1-2,4H2,3H3
InChIKeyZAEYNPQIOCPPJT-UHFFFAOYSA-N
XLogP1.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
CID 145064081
prop-2-enoyl 2-methylprop-2-enoate;zinc
CID 146295420
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603
2-methylidenehexa-3,5-dienoic acid;hydrate
CID 87513549
but-2-en-2-yl 2-methylprop-2-enoate
CID 57052528
[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate
CID 87083880
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate?
The IUPAC name of 2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate (CID 174764747) is 2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate?
The canonical SMILES for 2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate is C=CC=CC(=C)C(=O)OC(=O)C(=C)C.
What is the InChIKey of 2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate?
The InChIKey is ZAEYNPQIOCPPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-5-6-7-9(4)11(13)14-10(12)8(2)3/h5-7H,1-2,4H2,3H3.
What are the key properties of 2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate?
2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate has a molecular weight of 192.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2-methylidenehexa-3,5-dienoate is sourced from PubChem (CID 174764747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).