3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid

C11H14O4 — CID 174384517

IUPAC3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(C=C)=C(C)C(=O)O
InChIInChI=1S/C8H10O2.C3H4O2/c1-4-7(5-2)6(3)8(9)10;1-2-3(4)5/h4-5H,1-2H2,3H3,(H,9,10);2H,1H2,(H,4,5)
InChIKeyUKTGGQAUSLCOQW-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.02
Rot. Bonds4

About 3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid

3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid (PubChem CID 174384517) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid.

Molecular Properties

Compound Name3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid
PubChem CID174384517
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(C=C)=C(C)C(=O)O
InChIInChI=1S/C8H10O2.C3H4O2/c1-4-7(5-2)6(3)8(9)10;1-2-3(4)5/h4-5H,1-2H2,3H3,(H,9,10);2H,1H2,(H,4,5)
InChIKeyUKTGGQAUSLCOQW-UHFFFAOYSA-N
XLogP2.02
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
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

ethene;3-ethenyl-2-methylpenta-2,4-dienoic acid
CID 87267280
methanol;prop-2-enoic acid
CID 159043362
ethane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217491
1,1-dihydroxypropan-2-one;prop-2-enoic acid
CID 159954546
2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
CID 174363133
buta-1,3-diene;2,3-dimethylbut-2-enedioic acid
CID 173437060
2-methylprop-2-enoic acid;prop-2-enoic acid;silylsilane
CID 173358641
methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;hydrochloride
CID 22354205
cerium;bis(prop-2-enoic acid)
CID 169316659

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid?
The IUPAC name of 3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid (CID 174384517) is 3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid.
What is the SMILES notation for 3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid?
The canonical SMILES for 3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid is C=CC(=O)O.C=CC(C=C)=C(C)C(=O)O.
What is the InChIKey of 3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid?
The InChIKey is UKTGGQAUSLCOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C3H4O2/c1-4-7(5-2)6(3)8(9)10;1-2-3(4)5/h4-5H,1-2H2,3H3,(H,9,10);2H,1H2,(H,4,5).
What are the key properties of 3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid?
3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid has a molecular weight of 210.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-methylpenta-2,4-dienoic acid;prop-2-enoic acid is sourced from PubChem (CID 174384517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).