(3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid

C10H14O2 — CID 145123448

IUPAC(3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid
SMILESC=C(/C=C(/C)C=C(C)C)C(=O)O
InChIInChI=1S/C10H14O2/c1-7(2)5-8(3)6-9(4)10(11)12/h5-6H,4H2,1-3H3,(H,11,12)/b8-6-
InChIKeyPZDSNVWNKXAWJA-VURMDHGXSA-N
MW166.22 g/mol
LogP2.54
Rot. Bonds3

About (3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid

(3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid (PubChem CID 145123448) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid.

Molecular Properties

Compound Name(3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid
PubChem CID145123448
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid
SMILESC=C(/C=C(/C)C=C(C)C)C(=O)O
InChIInChI=1S/C10H14O2/c1-7(2)5-8(3)6-9(4)10(11)12/h5-6H,4H2,1-3H3,(H,11,12)/b8-6-
InChIKeyPZDSNVWNKXAWJA-VURMDHGXSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.54
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)-4,6-dimethyl-2-methylidenehepta-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

(3E)-4-chloro-6-methyl-2-methylidenehepta-3,5-dienoic acid
CID 166818002
(E)-2-hydroxy-4-methylidenepent-2-enedioic acid
CID 45479635
ethene;3-methylbut-2-enoic acid
CID 157400085
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
(3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid
CID 142923981
5-butoxy-4-methyl-2-methylidene-5-oxopent-3-enoic acid
CID 54059512
(Z)-2-methyl-4-methylidene-5-oxohex-2-enethial
CID 156716767
2,4,7-trimethylocta-2,4,6-triene
CID 162298746
azane;3-methylbut-2-enoic acid
CID 21422194
3-methylbut-2-enoic acid;propan-2-one
CID 174970520
2-(2-methylprop-2-enylidene)propanedioic acid
CID 87996037
acetic acid;2-methylprop-2-enoic acid
CID 21426946

Frequently Asked Questions

What is the IUPAC name of (3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid?
The IUPAC name of (3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid (CID 145123448) is (3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid.
What is the SMILES notation for (3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid?
The canonical SMILES for (3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid is C=C(/C=C(/C)C=C(C)C)C(=O)O.
What is the InChIKey of (3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid?
The InChIKey is PZDSNVWNKXAWJA-VURMDHGXSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)5-8(3)6-9(4)10(11)12/h5-6H,4H2,1-3H3,(H,11,12)/b8-6-.
What are the key properties of (3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid?
(3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid has a molecular weight of 166.22 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4,6-dimethyl-2-methylidenehepta-3,5-dienoic acid is sourced from PubChem (CID 145123448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).