(2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid

C10H12O4 — CID 134855099

IUPAC(2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid
SMILESCC(=C/C(=O)O)/C=C/C(C)=C\C(=O)O
InChIInChI=1S/C10H12O4/c1-7(5-9(11)12)3-4-8(2)6-10(13)14/h3-6H,1-2H3,(H,11,12)(H,13,14)/b4-3+,7-5-,8-6-
InChIKeyDWSPNHMILKVCTC-DVLZSMJMSA-N
MW196.20 g/mol
LogP1.60
Rot. Bonds4

About (2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid

(2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid (PubChem CID 134855099) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid.

Molecular Properties

Compound Name(2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid
PubChem CID134855099
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid
SMILESCC(=C/C(=O)O)/C=C/C(C)=C\C(=O)O
InChIInChI=1S/C10H12O4/c1-7(5-9(11)12)3-4-8(2)6-10(13)14/h3-6H,1-2H3,(H,11,12)(H,13,14)/b4-3+,7-5-,8-6-
InChIKeyDWSPNHMILKVCTC-DVLZSMJMSA-N
XLogP1.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.60
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'}

Analyze (2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic 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

(2E,4E,6E)-6-fluoro-3,7-dimethyl-8-oxoocta-2,4,6-trienoic acid
CID 88785463
(4E)-3-methyl-5-phenylpenta-2,4-dienoic acid
CID 774941
(2E,4E)-3-methylnona-2,4-dienoic acid
CID 87750367
(2E,4E)-4-methylhexa-2,4-dienoic acid
CID 11126261
12-methoxy-3,5,9-trimethyl-12-oxododeca-2,4,6,8,10-pentaenoic acid
CID 162916970
3-methylbut-2-enoic acid;propan-2-one
CID 174970520
azane;3-methylbut-2-enoic acid
CID 21422194
(E)-3-methylpent-2-enoic acid
CID 5473433
(2Z,4E)-3-methyl-5-tributylstannylpenta-2,4-dienoic acid
CID 11050736
(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 15150197
3,7,11,11-tetramethyl-10-propan-2-ylidenetrideca-2,4,6,8-tetraenoic acid
CID 54362744
5-(benzenesulfonyl)-3-methylpenta-2,4-dienoic acid
CID 91583799

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid?
The IUPAC name of (2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid (CID 134855099) is (2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid.
What is the SMILES notation for (2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid?
The canonical SMILES for (2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid is CC(=C/C(=O)O)/C=C/C(C)=C\C(=O)O.
What is the InChIKey of (2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid?
The InChIKey is DWSPNHMILKVCTC-DVLZSMJMSA-N. The full InChI is InChI=1S/C10H12O4/c1-7(5-9(11)12)3-4-8(2)6-10(13)14/h3-6H,1-2H3,(H,11,12)(H,13,14)/b4-3+,7-5-,8-6-.
What are the key properties of (2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid?
(2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid has a molecular weight of 196.20 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid is sourced from PubChem (CID 134855099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).