(2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid

C22H34O4 — CID 13393089

IUPAC(2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid
SMILESCCOC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)O
InChIInChI=1S/C22H34O4/c1-6-26-21(23)16-19(4)14-8-12-17(2)10-7-11-18(3)13-9-15-20(5)22(24)25/h11-12,15-16H,6-10,13-14H2,1-5H3,(H,24,25)/b17-12+,18-11+,19-16+,20-15+
InChIKeyGGALKLHVTUIRQF-VNNXFBFOSA-N
MW362.51 g/mol
LogP5.76
Rot. Bonds12

About (2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid

(2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid (PubChem CID 13393089) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is (2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid.

Molecular Properties

Compound Name(2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid
PubChem CID13393089
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name(2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid
SMILESCCOC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)O
InChIInChI=1S/C22H34O4/c1-6-26-21(23)16-19(4)14-8-12-17(2)10-7-11-18(3)13-9-15-20(5)22(24)25/h11-12,15-16H,6-10,13-14H2,1-5H3,(H,24,25)/b17-12+,18-11+,19-16+,20-15+
InChIKeyGGALKLHVTUIRQF-VNNXFBFOSA-N
XLogP5.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid?
The IUPAC name of (2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid (CID 13393089) is (2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid.
What is the SMILES notation for (2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid?
The canonical SMILES for (2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid is CCOC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)O.
What is the InChIKey of (2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid?
The InChIKey is GGALKLHVTUIRQF-VNNXFBFOSA-N. The full InChI is InChI=1S/C22H34O4/c1-6-26-21(23)16-19(4)14-8-12-17(2)10-7-11-18(3)13-9-15-20(5)22(24)25/h11-12,15-16H,6-10,13-14H2,1-5H3,(H,24,25)/b17-12+,18-11+,19-16+,20-15+.
What are the key properties of (2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid?
(2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid has a molecular weight of 362.51 g/mol, XLogP of 5.76, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E)-16-ethoxy-2,6,10,14-tetramethyl-16-oxohexadeca-2,6,10,14-tetraenoic acid is sourced from PubChem (CID 13393089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).