(2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid

C22H34O4 — CID 163184461

IUPAC(2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid
SMILESCC(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)C(=O)O
InChIInChI=1S/C22H34O4/c1-17(11-7-12-19(3)15-16-26-21(5)23)9-6-10-18(2)13-8-14-20(4)22(24)25/h10-11,14-15H,6-9,12-13,16H2,1-5H3,(H,24,25)/b17-11+,18-10+,19-15+,20-14-
InChIKeySFLIVRHHZBCWND-BUSJRZTHSA-N
MW362.51 g/mol
LogP5.76
Rot. Bonds12

About (2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid

(2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid (PubChem CID 163184461) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is (2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid.

Molecular Properties

Compound Name(2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid
PubChem CID163184461
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name(2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid
SMILESCC(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)C(=O)O
InChIInChI=1S/C22H34O4/c1-17(11-7-12-19(3)15-16-26-21(5)23)9-6-10-18(2)13-8-14-20(4)22(24)25/h10-11,14-15H,6-9,12-13,16H2,1-5H3,(H,24,25)/b17-11+,18-10+,19-15+,20-14-
InChIKeySFLIVRHHZBCWND-BUSJRZTHSA-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'}

Analyze (2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid?
The IUPAC name of (2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid (CID 163184461) is (2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid.
What is the SMILES notation for (2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid?
The canonical SMILES for (2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid is CC(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)C(=O)O.
What is the InChIKey of (2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid?
The InChIKey is SFLIVRHHZBCWND-BUSJRZTHSA-N. The full InChI is InChI=1S/C22H34O4/c1-17(11-7-12-19(3)15-16-26-21(5)23)9-6-10-18(2)13-8-14-20(4)22(24)25/h10-11,14-15H,6-9,12-13,16H2,1-5H3,(H,24,25)/b17-11+,18-10+,19-15+,20-14-.
What are the key properties of (2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid?
(2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-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 (2Z,6E,10E,14E)-16-acetyloxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid is sourced from PubChem (CID 163184461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).