(7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid

C20H34O4 — CID 171377638

IUPAC(7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid
SMILESCC(/C=C/CCCCCC(=O)O)C/C=C/C(C)CCCCC(=O)O
InChIInChI=1S/C20H34O4/c1-17(11-6-4-3-5-7-15-19(21)22)13-10-14-18(2)12-8-9-16-20(23)24/h6,10-11,14,17-18H,3-5,7-9,12-13,15-16H2,1-2H3,(H,21,22)(H,23,24)/b11-6+,14-10+
InChIKeyNSYFBCAMNNJCMB-PPGMXFKZSA-N
MW338.49 g/mol
LogP5.44
Rot. Bonds15

About (7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid

(7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid (PubChem CID 171377638) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is (7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid.

Molecular Properties

Compound Name(7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid
PubChem CID171377638
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name(7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid
SMILESCC(/C=C/CCCCCC(=O)O)C/C=C/C(C)CCCCC(=O)O
InChIInChI=1S/C20H34O4/c1-17(11-6-4-3-5-7-15-19(21)22)13-10-14-18(2)12-8-9-16-20(23)24/h6,10-11,14,17-18H,3-5,7-9,12-13,15-16H2,1-2H3,(H,21,22)(H,23,24)/b11-6+,14-10+
InChIKeyNSYFBCAMNNJCMB-PPGMXFKZSA-N
XLogP5.44
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.44
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'}

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Related Compounds

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CID 57288184
10-methyl-15-phenylpentadec-8-enoic acid
CID 70475145
11-methyldodec-9-enoic acid
CID 76621229
6-methyltetracos-4-enoic acid
CID 173102051
(Z)-16-methylheptadec-8-enoic acid
CID 10731639
24-methylpentacos-9-enoic acid
CID 57190789
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797
17-methyloctadeca-5,9-dienoic acid
CID 75955144
(E,11R)-11-hydroxytridec-9-enoic acid
CID 162884885

Frequently Asked Questions

What is the IUPAC name of (7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid?
The IUPAC name of (7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid (CID 171377638) is (7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid.
What is the SMILES notation for (7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid?
The canonical SMILES for (7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid is CC(/C=C/CCCCCC(=O)O)C/C=C/C(C)CCCCC(=O)O.
What is the InChIKey of (7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid?
The InChIKey is NSYFBCAMNNJCMB-PPGMXFKZSA-N. The full InChI is InChI=1S/C20H34O4/c1-17(11-6-4-3-5-7-15-19(21)22)13-10-14-18(2)12-8-9-16-20(23)24/h6,10-11,14,17-18H,3-5,7-9,12-13,15-16H2,1-2H3,(H,21,22)(H,23,24)/b11-6+,14-10+.
What are the key properties of (7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid?
(7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid has a molecular weight of 338.49 g/mol, XLogP of 5.44, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid is sourced from PubChem (CID 171377638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).