(6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol

C45H86O8 — CID 101316470

IUPAC(6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol
SMILESCC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CCC(C)(O)C(O)CO
InChIInChI=1S/C45H86O8/c1-36(2)19-12-24-40(5,48)26-15-28-42(7,50)30-17-32-44(9,52)33-18-31-43(8,51)29-16-27-41(6,49)25-13-22-37(3)20-11-21-38(4)23-14-34-45(10,53)39(47)35-46/h19-20,23,39,46-53H,11-18,21-22,24-35H2,1-10H3/b37-20+,38-23+
InChIKeyODYQWBQQODHSHH-JZYBSQCASA-N
MW755.17 g/mol
LogP8.90
Rot. Bonds31

About (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol

(6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol (PubChem CID 101316470) has the molecular formula C45H86O8 and a molecular weight of 755.17 g/mol. Its IUPAC name is (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol.

Molecular Properties

Compound Name(6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol
PubChem CID101316470
Molecular FormulaC45H86O8
Molecular Weight755.17 g/mol
Exact Mass754.63
IUPAC Name(6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol
SMILESCC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CCC(C)(O)C(O)CO
InChIInChI=1S/C45H86O8/c1-36(2)19-12-24-40(5,48)26-15-28-42(7,50)30-17-32-44(9,52)33-18-31-43(8,51)29-16-27-41(6,49)25-13-22-37(3)20-11-21-38(4)23-14-34-45(10,53)39(47)35-46/h19-20,23,39,46-53H,11-18,21-22,24-35H2,1-10H3/b37-20+,38-23+
InChIKeyODYQWBQQODHSHH-JZYBSQCASA-N
XLogP8.90
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds31
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500755.17
LogP ≤ 58.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol?
The IUPAC name of (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol (CID 101316470) is (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol.
What is the SMILES notation for (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol?
The canonical SMILES for (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol is CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CCC(C)(O)C(O)CO.
What is the InChIKey of (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol?
The InChIKey is ODYQWBQQODHSHH-JZYBSQCASA-N. The full InChI is InChI=1S/C45H86O8/c1-36(2)19-12-24-40(5,48)26-15-28-42(7,50)30-17-32-44(9,52)33-18-31-43(8,51)29-16-27-41(6,49)25-13-22-37(3)20-11-21-38(4)23-14-34-45(10,53)39(47)35-46/h19-20,23,39,46-53H,11-18,21-22,24-35H2,1-10H3/b37-20+,38-23+.
What are the key properties of (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol?
(6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol has a molecular weight of 755.17 g/mol, XLogP of 8.90, 31 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-nonamethylhexatriaconta-6,10,34-triene-1,2,3,15,19,23,27,31-octol is sourced from PubChem (CID 101316470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).