(4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid

C24H38O4 — CID 137350732

IUPAC(4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCC/C(C)=C/CCC(=O)OC(/C=C(\C)CCC=C(C)C)CC(=O)O
InChIInChI=1S/C24H38O4/c1-18(2)10-7-12-20(5)13-9-15-24(27)28-22(17-23(25)26)16-21(6)14-8-11-19(3)4/h10-11,13,16,22H,7-9,12,14-15,17H2,1-6H3,(H,25,26)/b20-13+,21-16+
InChIKeyVEBFGBYOCSJJSN-QUIOSVDYSA-N
MW390.56 g/mol
LogP6.54
Rot. Bonds13

About (4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid

(4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid (PubChem CID 137350732) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is (4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name(4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid
PubChem CID137350732
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name(4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCC/C(C)=C/CCC(=O)OC(/C=C(\C)CCC=C(C)C)CC(=O)O
InChIInChI=1S/C24H38O4/c1-18(2)10-7-12-20(5)13-9-15-24(27)28-22(17-23(25)26)16-21(6)14-8-11-19(3)4/h10-11,13,16,22H,7-9,12,14-15,17H2,1-6H3,(H,25,26)/b20-13+,21-16+
InChIKeyVEBFGBYOCSJJSN-QUIOSVDYSA-N
XLogP6.54
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid?
The IUPAC name of (4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid (CID 137350732) is (4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid.
What is the SMILES notation for (4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid?
The canonical SMILES for (4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid is CC(C)=CCC/C(C)=C/CCC(=O)OC(/C=C(\C)CCC=C(C)C)CC(=O)O.
What is the InChIKey of (4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid?
The InChIKey is VEBFGBYOCSJJSN-QUIOSVDYSA-N. The full InChI is InChI=1S/C24H38O4/c1-18(2)10-7-12-20(5)13-9-15-24(27)28-22(17-23(25)26)16-21(6)14-8-11-19(3)4/h10-11,13,16,22H,7-9,12,14-15,17H2,1-6H3,(H,25,26)/b20-13+,21-16+.
What are the key properties of (4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid?
(4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid has a molecular weight of 390.56 g/mol, XLogP of 6.54, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-[(4E)-5,9-dimethyldeca-4,8-dienoyl]oxy-5,9-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 137350732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).