11-ethenyl-5,14-dimethyloctadec-8-enedioic acid

C22H38O4 — CID 71348445

IUPAC11-ethenyl-5,14-dimethyloctadec-8-enedioic acid
SMILESC=CC(CC=CCCC(C)CCCC(=O)O)CCC(C)CCCC(=O)O
InChIInChI=1S/C22H38O4/c1-4-20(17-16-19(3)12-9-15-22(25)26)13-7-5-6-10-18(2)11-8-14-21(23)24/h4-5,7,18-20H,1,6,8-17H2,2-3H3,(H,23,24)(H,25,26)
InChIKeyLUKGXQJRYVIIIY-UHFFFAOYSA-N
MW366.54 g/mol
LogP6.08
Rot. Bonds17

About 11-ethenyl-5,14-dimethyloctadec-8-enedioic acid

11-ethenyl-5,14-dimethyloctadec-8-enedioic acid (PubChem CID 71348445) has the molecular formula C22H38O4 and a molecular weight of 366.54 g/mol. Its IUPAC name is 11-ethenyl-5,14-dimethyloctadec-8-enedioic acid.

Molecular Properties

Compound Name11-ethenyl-5,14-dimethyloctadec-8-enedioic acid
PubChem CID71348445
Molecular FormulaC22H38O4
Molecular Weight366.54 g/mol
Exact Mass366.28
IUPAC Name11-ethenyl-5,14-dimethyloctadec-8-enedioic acid
SMILESC=CC(CC=CCCC(C)CCCC(=O)O)CCC(C)CCCC(=O)O
InChIInChI=1S/C22H38O4/c1-4-20(17-16-19(3)12-9-15-22(25)26)13-7-5-6-10-18(2)11-8-14-21(23)24/h4-5,7,18-20H,1,6,8-17H2,2-3H3,(H,23,24)(H,25,26)
InChIKeyLUKGXQJRYVIIIY-UHFFFAOYSA-N
XLogP6.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-methyloctadec-6-enoic acid
CID 72542931
(E)-5-methyloctadec-9-enoic acid
CID 129219195
11,15,19-trimethylicos-5-enoic acid
CID 75962648
8-methylnon-5-enoic acid
CID 73188771
(Z)-13,17,21,25-tetramethylhexacos-5-enoic acid
CID 52929822
(Z)-19-methyltricos-9-enoic acid
CID 170905210
(Z)-9-methylheptadec-6-enoic acid
CID 52921788
19-methylheptatriacontanedioic acid
CID 141009772
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951
(Z,14S)-14-methylhexadec-9-enoic acid
CID 163004277
12-formylhenicos-9-enedioic acid
CID 161256123
(2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane
CID 160519828

Frequently Asked Questions

What is the IUPAC name of 11-ethenyl-5,14-dimethyloctadec-8-enedioic acid?
The IUPAC name of 11-ethenyl-5,14-dimethyloctadec-8-enedioic acid (CID 71348445) is 11-ethenyl-5,14-dimethyloctadec-8-enedioic acid.
What is the SMILES notation for 11-ethenyl-5,14-dimethyloctadec-8-enedioic acid?
The canonical SMILES for 11-ethenyl-5,14-dimethyloctadec-8-enedioic acid is C=CC(CC=CCCC(C)CCCC(=O)O)CCC(C)CCCC(=O)O.
What is the InChIKey of 11-ethenyl-5,14-dimethyloctadec-8-enedioic acid?
The InChIKey is LUKGXQJRYVIIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O4/c1-4-20(17-16-19(3)12-9-15-22(25)26)13-7-5-6-10-18(2)11-8-14-21(23)24/h4-5,7,18-20H,1,6,8-17H2,2-3H3,(H,23,24)(H,25,26).
What are the key properties of 11-ethenyl-5,14-dimethyloctadec-8-enedioic acid?
11-ethenyl-5,14-dimethyloctadec-8-enedioic acid has a molecular weight of 366.54 g/mol, XLogP of 6.08, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethenyl-5,14-dimethyloctadec-8-enedioic acid is sourced from PubChem (CID 71348445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).