(4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid

C33H54O3 — CID 176897325

IUPAC(4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC(C)(O)C(=O)O
InChIInChI=1S/C33H54O3/c1-26(2)15-11-18-29(5)21-12-19-27(3)16-9-10-17-28(4)20-13-22-30(6)23-14-24-31(7)25-33(8,36)32(34)35/h15-17,21-22,24,36H,9-14,18-20,23,25H2,1-8H3,(H,34,35)/b27-16+,28-17+,29-21+,30-22+,31-24+
InChIKeyVNDGETRAVPQNRL-FGFGNNQVSA-N
MW498.79 g/mol
LogP9.81
Rot. Bonds18

About (4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid

(4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid (PubChem CID 176897325) has the molecular formula C33H54O3 and a molecular weight of 498.79 g/mol. Its IUPAC name is (4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid.

Molecular Properties

Compound Name(4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid
PubChem CID176897325
Molecular FormulaC33H54O3
Molecular Weight498.79 g/mol
Exact Mass498.41
IUPAC Name(4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC(C)(O)C(=O)O
InChIInChI=1S/C33H54O3/c1-26(2)15-11-18-29(5)21-12-19-27(3)16-9-10-17-28(4)20-13-22-30(6)23-14-24-31(7)25-33(8,36)32(34)35/h15-17,21-22,24,36H,9-14,18-20,23,25H2,1-8H3,(H,34,35)/b27-16+,28-17+,29-21+,30-22+,31-24+
InChIKeyVNDGETRAVPQNRL-FGFGNNQVSA-N
XLogP9.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.79
LogP ≤ 59.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid
CID 54070061
acetic acid;5,9-dimethyldeca-4,8-dien-1-ol
CID 71328241
7,11-dimethyl-3-oxododeca-6,10-dienoic acid
CID 71333058

Frequently Asked Questions

What is the IUPAC name of (4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid?
The IUPAC name of (4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid (CID 176897325) is (4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid.
What is the SMILES notation for (4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid?
The canonical SMILES for (4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC(C)(O)C(=O)O.
What is the InChIKey of (4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid?
The InChIKey is VNDGETRAVPQNRL-FGFGNNQVSA-N. The full InChI is InChI=1S/C33H54O3/c1-26(2)15-11-18-29(5)21-12-19-27(3)16-9-10-17-28(4)20-13-22-30(6)23-14-24-31(7)25-33(8,36)32(34)35/h15-17,21-22,24,36H,9-14,18-20,23,25H2,1-8H3,(H,34,35)/b27-16+,28-17+,29-21+,30-22+,31-24+.
What are the key properties of (4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid?
(4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid has a molecular weight of 498.79 g/mol, XLogP of 9.81, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid is sourced from PubChem (CID 176897325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).