(5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid

C16H28O2 — CID 59229337

IUPAC(5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid
SMILESCC/C=C(\C)CCC/C(C)=C/CCC(C)C(=O)O
InChIInChI=1S/C16H28O2/c1-5-8-13(2)9-6-10-14(3)11-7-12-15(4)16(17)18/h8,11,15H,5-7,9-10,12H2,1-4H3,(H,17,18)/b13-8+,14-11+
InChIKeyIFERDXYWYAUBKM-HVUCGZAQSA-N
MW252.40 g/mol
LogP4.96
Rot. Bonds9

About (5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid

(5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid (PubChem CID 59229337) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid.

Molecular Properties

Compound Name(5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid
PubChem CID59229337
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid
SMILESCC/C=C(\C)CCC/C(C)=C/CCC(C)C(=O)O
InChIInChI=1S/C16H28O2/c1-5-8-13(2)9-6-10-14(3)11-7-12-15(4)16(17)18/h8,11,15H,5-7,9-10,12H2,1-4H3,(H,17,18)/b13-8+,14-11+
InChIKeyIFERDXYWYAUBKM-HVUCGZAQSA-N
XLogP4.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.96
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 (5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid?
The IUPAC name of (5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid (CID 59229337) is (5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid.
What is the SMILES notation for (5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid?
The canonical SMILES for (5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid is CC/C=C(\C)CCC/C(C)=C/CCC(C)C(=O)O.
What is the InChIKey of (5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid?
The InChIKey is IFERDXYWYAUBKM-HVUCGZAQSA-N. The full InChI is InChI=1S/C16H28O2/c1-5-8-13(2)9-6-10-14(3)11-7-12-15(4)16(17)18/h8,11,15H,5-7,9-10,12H2,1-4H3,(H,17,18)/b13-8+,14-11+.
What are the key properties of (5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid?
(5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid has a molecular weight of 252.40 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,10E)-2,6,10-trimethyltrideca-5,10-dienoic acid is sourced from PubChem (CID 59229337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).