2,3,4-trimethyldodeca-2,6-dienedioic acid

C15H24O4 — CID 137346126

IUPAC2,3,4-trimethyldodeca-2,6-dienedioic acid
SMILESCC(C(=O)O)=C(C)C(C)CC=CCCCCC(=O)O
InChIInChI=1S/C15H24O4/c1-11(12(2)13(3)15(18)19)9-7-5-4-6-8-10-14(16)17/h5,7,11H,4,6,8-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyOFSVBBBTMUPXSJ-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.63
Rot. Bonds9

About 2,3,4-trimethyldodeca-2,6-dienedioic acid

2,3,4-trimethyldodeca-2,6-dienedioic acid (PubChem CID 137346126) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2,3,4-trimethyldodeca-2,6-dienedioic acid.

Molecular Properties

Compound Name2,3,4-trimethyldodeca-2,6-dienedioic acid
PubChem CID137346126
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2,3,4-trimethyldodeca-2,6-dienedioic acid
SMILESCC(C(=O)O)=C(C)C(C)CC=CCCCCC(=O)O
InChIInChI=1S/C15H24O4/c1-11(12(2)13(3)15(18)19)9-7-5-4-6-8-10-14(16)17/h5,7,11H,4,6,8-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyOFSVBBBTMUPXSJ-UHFFFAOYSA-N
XLogP3.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(7Z,10Z,13Z)-16-methylheptadeca-7,10,13-trienoic acid
CID 168749468
8-methylnon-5-enoic acid
CID 73188771
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
10-acetyloxy-9-methylundec-6-enoic acid
CID 90786945
(E,9R,10S)-10-acetyloxy-9-methylundec-6-enoic acid
CID 90161273
11-hydroxydodec-6-enoic acid
CID 123616769
(Z)-16-methylheptadec-8-enoic acid
CID 10731639
24-methylpentacos-9-enoic acid
CID 57190789
(Z)-dodec-5-enedioic acid
CID 86751837

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyldodeca-2,6-dienedioic acid?
The IUPAC name of 2,3,4-trimethyldodeca-2,6-dienedioic acid (CID 137346126) is 2,3,4-trimethyldodeca-2,6-dienedioic acid.
What is the SMILES notation for 2,3,4-trimethyldodeca-2,6-dienedioic acid?
The canonical SMILES for 2,3,4-trimethyldodeca-2,6-dienedioic acid is CC(C(=O)O)=C(C)C(C)CC=CCCCCC(=O)O.
What is the InChIKey of 2,3,4-trimethyldodeca-2,6-dienedioic acid?
The InChIKey is OFSVBBBTMUPXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-11(12(2)13(3)15(18)19)9-7-5-4-6-8-10-14(16)17/h5,7,11H,4,6,8-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2,3,4-trimethyldodeca-2,6-dienedioic acid?
2,3,4-trimethyldodeca-2,6-dienedioic acid has a molecular weight of 268.35 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyldodeca-2,6-dienedioic acid is sourced from PubChem (CID 137346126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).