(4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid

C15H26O2 — CID 12923913

IUPAC(4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid
SMILESCCCC(C/C=C(\C)CCC=C(C)C)C(=O)O
InChIInChI=1S/C15H26O2/c1-5-7-14(15(16)17)11-10-13(4)9-6-8-12(2)3/h8,10,14H,5-7,9,11H2,1-4H3,(H,16,17)/b13-10+
InChIKeySPNHYPMQSYKASV-JLHYYAGUSA-N
MW238.37 g/mol
LogP4.57
Rot. Bonds8

About (4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid

(4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid (PubChem CID 12923913) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name(4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid
PubChem CID12923913
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid
SMILESCCCC(C/C=C(\C)CCC=C(C)C)C(=O)O
InChIInChI=1S/C15H26O2/c1-5-7-14(15(16)17)11-10-13(4)9-6-8-12(2)3/h8,10,14H,5-7,9,11H2,1-4H3,(H,16,17)/b13-10+
InChIKeySPNHYPMQSYKASV-JLHYYAGUSA-N
XLogP4.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid?
The IUPAC name of (4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid (CID 12923913) is (4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid.
What is the SMILES notation for (4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid?
The canonical SMILES for (4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid is CCCC(C/C=C(\C)CCC=C(C)C)C(=O)O.
What is the InChIKey of (4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid?
The InChIKey is SPNHYPMQSYKASV-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-7-14(15(16)17)11-10-13(4)9-6-8-12(2)3/h8,10,14H,5-7,9,11H2,1-4H3,(H,16,17)/b13-10+.
What are the key properties of (4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid?
(4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5,9-dimethyl-2-propyldeca-4,8-dienoic acid is sourced from PubChem (CID 12923913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).