(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol

C32H54O — CID 14701004

IUPAC(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCO
InChIInChI=1S/C32H54O/c1-27(2)15-10-18-30(5)21-11-19-28(3)16-8-9-17-29(4)20-12-22-31(6)23-13-24-32(7)25-14-26-33/h15-17,21-22,24,33H,8-14,18-20,23,25-26H2,1-7H3/b28-16+,29-17+,30-21+,31-22+,32-24+
InChIKeyYIROYGMOYSAVLL-LWQGORMXSA-N
MW454.78 g/mol
LogP10.36
Rot. Bonds18

About (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol

(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol (PubChem CID 14701004) has the molecular formula C32H54O and a molecular weight of 454.78 g/mol. Its IUPAC name is (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol.

Molecular Properties

Compound Name(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol
PubChem CID14701004
Molecular FormulaC32H54O
Molecular Weight454.78 g/mol
Exact Mass454.42
IUPAC Name(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCO
InChIInChI=1S/C32H54O/c1-27(2)15-10-18-30(5)21-11-19-28(3)16-8-9-17-29(4)20-12-22-31(6)23-13-24-32(7)25-14-26-33/h15-17,21-22,24,33H,8-14,18-20,23,25-26H2,1-7H3/b28-16+,29-17+,30-21+,31-22+,32-24+
InChIKeyYIROYGMOYSAVLL-LWQGORMXSA-N
XLogP10.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.78
LogP ≤ 510.36
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'}

Analyze (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol 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 (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol?
The IUPAC name of (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol (CID 14701004) is (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol.
What is the SMILES notation for (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol?
The canonical SMILES for (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCO.
What is the InChIKey of (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol?
The InChIKey is YIROYGMOYSAVLL-LWQGORMXSA-N. The full InChI is InChI=1S/C32H54O/c1-27(2)15-10-18-30(5)21-11-19-28(3)16-8-9-17-29(4)20-12-22-31(6)23-13-24-32(7)25-14-26-33/h15-17,21-22,24,33H,8-14,18-20,23,25-26H2,1-7H3/b28-16+,29-17+,30-21+,31-22+,32-24+.
What are the key properties of (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol?
(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol has a molecular weight of 454.78 g/mol, XLogP of 10.36, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol is sourced from PubChem (CID 14701004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).