2,13-dimethyltetradeca-2,12-dienedioic acid

C16H26O4 — CID 173279289

IUPAC2,13-dimethyltetradeca-2,12-dienedioic acid
SMILESCC(=CCCCCCCCCC=C(C)C(=O)O)C(=O)O
InChIInChI=1S/C16H26O4/c1-13(15(17)18)11-9-7-5-3-4-6-8-10-12-14(2)16(19)20/h11-12H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySUGXTKVAIVFYPO-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.17
Rot. Bonds11

About 2,13-dimethyltetradeca-2,12-dienedioic acid

2,13-dimethyltetradeca-2,12-dienedioic acid (PubChem CID 173279289) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2,13-dimethyltetradeca-2,12-dienedioic acid.

Molecular Properties

Compound Name2,13-dimethyltetradeca-2,12-dienedioic acid
PubChem CID173279289
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2,13-dimethyltetradeca-2,12-dienedioic acid
SMILESCC(=CCCCCCCCCC=C(C)C(=O)O)C(=O)O
InChIInChI=1S/C16H26O4/c1-13(15(17)18)11-9-7-5-3-4-6-8-10-12-14(2)16(19)20/h11-12H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySUGXTKVAIVFYPO-UHFFFAOYSA-N
XLogP4.17
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,13-dimethyltetradeca-2,12-dienedioic 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

(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
(E)-2-methylnon-2-enedioic acid
CID 87072449
8-amino-2-methyloct-2-enoic acid
CID 90963841
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
(E)-7-bromo-2-methylhept-2-enoic acid
CID 87183825
(2E,12E)-2-methylhenicosa-2,12-dienoic acid
CID 87122533
2-methylhenicosa-2,12-dienoic acid
CID 73411111
11-(aziridin-1-yl)-2-methylundec-2-enoic acid
CID 123246956
2-methylpentacos-2-enoic acid;prop-2-enoic acid
CID 158192542
N,N-dimethylformamide;2-methyloct-2-enoic acid
CID 161449780

Frequently Asked Questions

What is the IUPAC name of 2,13-dimethyltetradeca-2,12-dienedioic acid?
The IUPAC name of 2,13-dimethyltetradeca-2,12-dienedioic acid (CID 173279289) is 2,13-dimethyltetradeca-2,12-dienedioic acid.
What is the SMILES notation for 2,13-dimethyltetradeca-2,12-dienedioic acid?
The canonical SMILES for 2,13-dimethyltetradeca-2,12-dienedioic acid is CC(=CCCCCCCCCC=C(C)C(=O)O)C(=O)O.
What is the InChIKey of 2,13-dimethyltetradeca-2,12-dienedioic acid?
The InChIKey is SUGXTKVAIVFYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-13(15(17)18)11-9-7-5-3-4-6-8-10-12-14(2)16(19)20/h11-12H,3-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2,13-dimethyltetradeca-2,12-dienedioic acid?
2,13-dimethyltetradeca-2,12-dienedioic acid has a molecular weight of 282.38 g/mol, XLogP of 4.17, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,13-dimethyltetradeca-2,12-dienedioic acid is sourced from PubChem (CID 173279289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).