(6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol

C50H94O8 — CID 6480646

About (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol

(6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol (PubChem CID 6480646) has the molecular formula C50H94O8 and a molecular weight of 823.29 g/mol. Its IUPAC name is (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol.

Molecular Properties

• Compound Name: (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol
• PubChem CID: 6480646
• Molecular Formula: C50H94O8
• Molecular Weight: 823.29 g/mol
• Exact Mass: 822.69
• IUPAC Name: (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol
• SMILES: C=CC(C)(O)CC/C=C(\C)CC/C=C(\C)CCC(O)C(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C
• InChI: InChI=1S/C50H94O8/c1-13-44(6,52)28-16-25-41(4)23-14-24-42(5)26-27-43(51)50(12,58)39-21-38-49(11,57)37-20-36-48(10,56)35-19-34-47(9,55)33-18-32-46(8,54)31-17-30-45(7,53)29-15-22-40(2)3/h13,22,24-25,43,51-58H,1,14-21,23,26-39H2,2-12H3/b41-25+,42-24+
• InChIKey: SAOYPUOWYBAYST-MHKLCUJQSA-N
• XLogP: 10.62
• TPSA: 161.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 34
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	823.29
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol?

The IUPAC name of (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol (CID 6480646) is (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol.

What is the SMILES notation for (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol?

The canonical SMILES for (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol is C=CC(C)(O)CC/C=C(\C)CC/C=C(\C)CCC(O)C(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C.

What is the InChIKey of (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol?

The InChIKey is SAOYPUOWYBAYST-MHKLCUJQSA-N. The full InChI is InChI=1S/C50H94O8/c1-13-44(6,52)28-16-25-41(4)23-14-24-42(5)26-27-43(51)50(12,58)39-21-38-49(11,57)37-20-36-48(10,56)35-19-34-47(9,55)33-18-32-46(8,54)31-17-30-45(7,53)29-15-22-40(2)3/h13,22,24-25,43,51-58H,1,14-21,23,26-39H2,2-12H3/b41-25+,42-24+.

What are the key properties of (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol?

(6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol has a molecular weight of 823.29 g/mol, XLogP of 10.62, 34 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6E,10E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,38-tetraene-3,14,15,19,23,27,31,35-octol is sourced from PubChem (CID 6480646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).