(E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol

C26H44OS — CID 10476363

IUPAC(E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CS/C=C(\C)CCCO
InChIInChI=1S/C26H44OS/c1-22(2)12-9-15-24(4)17-10-16-23(3)13-7-8-14-25(5)20-28-21-26(6)18-11-19-27/h12-14,17,21,27H,7-11,15-16,18-20H2,1-6H3/b23-13+,24-17+,25-14+,26-21+
InChIKeyGOEHJSVIJXIFEM-YCJVSPRJSA-N
MW404.70 g/mol
LogP8.54
Rot. Bonds15

About (E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol

(E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol (PubChem CID 10476363) has the molecular formula C26H44OS and a molecular weight of 404.70 g/mol. Its IUPAC name is (E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol.

Molecular Properties

Compound Name(E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol
PubChem CID10476363
Molecular FormulaC26H44OS
Molecular Weight404.70 g/mol
Exact Mass404.31
IUPAC Name(E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CS/C=C(\C)CCCO
InChIInChI=1S/C26H44OS/c1-22(2)12-9-15-24(4)17-10-16-23(3)13-7-8-14-25(5)20-28-21-26(6)18-11-19-27/h12-14,17,21,27H,7-11,15-16,18-20H2,1-6H3/b23-13+,24-17+,25-14+,26-21+
InChIKeyGOEHJSVIJXIFEM-YCJVSPRJSA-N
XLogP8.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.70
LogP ≤ 58.54
H-Bond Donors ≤ 51
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 (E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-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 (E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol?
The IUPAC name of (E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol (CID 10476363) is (E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol.
What is the SMILES notation for (E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol?
The canonical SMILES for (E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CS/C=C(\C)CCCO.
What is the InChIKey of (E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol?
The InChIKey is GOEHJSVIJXIFEM-YCJVSPRJSA-N. The full InChI is InChI=1S/C26H44OS/c1-22(2)12-9-15-24(4)17-10-16-23(3)13-7-8-14-25(5)20-28-21-26(6)18-11-19-27/h12-14,17,21,27H,7-11,15-16,18-20H2,1-6H3/b23-13+,24-17+,25-14+,26-21+.
What are the key properties of (E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol?
(E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol has a molecular weight of 404.70 g/mol, XLogP of 8.54, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-5-[(2E,6E,10E)-2,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpent-4-en-1-ol is sourced from PubChem (CID 10476363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).