(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid

C19H30O2 — CID 46927917

IUPAC(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C/C(=O)O
InChIInChI=1S/C19H30O2/c1-16(2)10-8-12-18(4)14-9-13-17(3)11-6-5-7-15-19(20)21/h7,10-11,14-15H,5-6,8-9,12-13H2,1-4H3,(H,20,21)/b15-7+,17-11+,18-14+
InChIKeyGLPWLKHIIUEHTR-IHKMYNNBSA-N
MW290.45 g/mol
LogP5.83
Rot. Bonds10

About (2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid

(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid (PubChem CID 46927917) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid.

Molecular Properties

Compound Name(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid
PubChem CID46927917
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C/C(=O)O
InChIInChI=1S/C19H30O2/c1-16(2)10-8-12-18(4)14-9-13-17(3)11-6-5-7-15-19(20)21/h7,10-11,14-15H,5-6,8-9,12-13H2,1-4H3,(H,20,21)/b15-7+,17-11+,18-14+
InChIKeyGLPWLKHIIUEHTR-IHKMYNNBSA-N
XLogP5.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid?
The IUPAC name of (2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid (CID 46927917) is (2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid.
What is the SMILES notation for (2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid?
The canonical SMILES for (2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C/C(=O)O.
What is the InChIKey of (2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid?
The InChIKey is GLPWLKHIIUEHTR-IHKMYNNBSA-N. The full InChI is InChI=1S/C19H30O2/c1-16(2)10-8-12-18(4)14-9-13-17(3)11-6-5-7-15-19(20)21/h7,10-11,14-15H,5-6,8-9,12-13H2,1-4H3,(H,20,21)/b15-7+,17-11+,18-14+.
What are the key properties of (2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid?
(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid has a molecular weight of 290.45 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid is sourced from PubChem (CID 46927917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).