(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid

C10H12O2 — CID 143334780

IUPAC(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
SMILESC=C/C=C(C)\C(=C/C=C)C(=O)O
InChIInChI=1S/C10H12O2/c1-4-6-8(3)9(7-5-2)10(11)12/h4-7H,1-2H2,3H3,(H,11,12)/b8-6-,9-7+
InChIKeyGLQHBWYNDWUKNV-MKKAVFGOSA-N
MW164.20 g/mol
LogP2.32
Rot. Bonds4

About (2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid

(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid (PubChem CID 143334780) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid.

Molecular Properties

Compound Name(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
PubChem CID143334780
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
SMILESC=C/C=C(C)\C(=C/C=C)C(=O)O
InChIInChI=1S/C10H12O2/c1-4-6-8(3)9(7-5-2)10(11)12/h4-7H,1-2H2,3H3,(H,11,12)/b8-6-,9-7+
InChIKeyGLQHBWYNDWUKNV-MKKAVFGOSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid
CID 143334790
(3E)-3-[(E)-1-hydroxyprop-1-enyl]hexa-3,5-dien-2-one
CID 142088410
ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene
CID 144917186
ethenyl hydrogen carbonate;2-methylpenta-2,4-dienoic acid
CID 173185262
dioxane;2-methylpenta-2,4-dienoic acid
CID 174610786
acetic acid;buta-1,3-diene-1,1-diol
CID 174422990
(4E)-4-methyl-3-oxohepta-4,6-dienoic acid
CID 88512756
(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid
CID 143656480
ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid
CID 143594011
(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 130346277
buta-1,3-diene;2,3-dimethylbut-2-enedioic acid
CID 173437060
(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 142839788

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid?
The IUPAC name of (2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid (CID 143334780) is (2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid.
What is the SMILES notation for (2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid?
The canonical SMILES for (2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid is C=C/C=C(C)\C(=C/C=C)C(=O)O.
What is the InChIKey of (2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid?
The InChIKey is GLQHBWYNDWUKNV-MKKAVFGOSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-6-8(3)9(7-5-2)10(11)12/h4-7H,1-2H2,3H3,(H,11,12)/b8-6-,9-7+.
What are the key properties of (2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid?
(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid has a molecular weight of 164.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid is sourced from PubChem (CID 143334780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).