(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid

C8H10O2 — CID 142042516

IUPAC(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
SMILESC=C(C)/C=C\C(=C)C(=O)O
InChIInChI=1S/C8H10O2/c1-6(2)4-5-7(3)8(9)10/h4-5H,1,3H2,2H3,(H,9,10)/b5-4-
InChIKeySSUHHXJCSRFDHL-PLNGDYQASA-N
MW138.17 g/mol
LogP1.76
Rot. Bonds3

About (3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid

(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid (PubChem CID 142042516) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid.

Molecular Properties

Compound Name(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
PubChem CID142042516
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
SMILESC=C(C)/C=C\C(=C)C(=O)O
InChIInChI=1S/C8H10O2/c1-6(2)4-5-7(3)8(9)10/h4-5H,1,3H2,2H3,(H,9,10)/b5-4-
InChIKeySSUHHXJCSRFDHL-PLNGDYQASA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.76
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'}

Analyze (3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid
CID 142923981
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane
CID 143933748
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
5-ethyl-2-methylidenehepta-3,5-dienoic acid
CID 91121343
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
(3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide
CID 156853441
(3Z)-5-methylhexa-1,3,5-trien-2-ol;uranium
CID 143030811
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid
CID 144579461
ethane;(3Z,5Z)-2-methylidenehepta-3,5-dienoic acid
CID 176938784

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid?
The IUPAC name of (3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid (CID 142042516) is (3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid.
What is the SMILES notation for (3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid?
The canonical SMILES for (3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid is C=C(C)/C=C\C(=C)C(=O)O.
What is the InChIKey of (3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid?
The InChIKey is SSUHHXJCSRFDHL-PLNGDYQASA-N. The full InChI is InChI=1S/C8H10O2/c1-6(2)4-5-7(3)8(9)10/h4-5H,1,3H2,2H3,(H,9,10)/b5-4-.
What are the key properties of (3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid?
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid has a molecular weight of 138.17 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid is sourced from PubChem (CID 142042516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).