(6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol

C45H84O6 — CID 6480643

IUPAC(6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol
SMILESC=CC(C)(O)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C
InChIInChI=1S/C45H84O6/c1-12-40(6,46)26-15-24-38(4)22-13-23-39(5)25-16-28-42(8,48)30-18-32-44(10,50)34-20-36-45(11,51)35-19-33-43(9,49)31-17-29-41(7,47)27-14-21-37(2)3/h12,21,23-24,46-51H,1,13-20,22,25-36H2,2-11H3/b38-24+,39-23+
InChIKeyDGMDXWIMXBSSCY-RIZDTFTOSA-N
MW721.16 g/mol
LogP10.73
Rot. Bonds30

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

(6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol (PubChem CID 6480643) has the molecular formula C45H84O6 and a molecular weight of 721.16 g/mol. Its IUPAC name is (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol.

Molecular Properties

Compound Name(6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol
PubChem CID6480643
Molecular FormulaC45H84O6
Molecular Weight721.16 g/mol
Exact Mass720.63
IUPAC Name(6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol
SMILESC=CC(C)(O)CC/C=C(\C)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC=C(C)C
InChIInChI=1S/C45H84O6/c1-12-40(6,46)26-15-24-38(4)22-13-23-39(5)25-16-28-42(8,48)30-18-32-44(10,50)34-20-36-45(11,51)35-19-33-43(9,49)31-17-29-41(7,47)27-14-21-37(2)3/h12,21,23-24,46-51H,1,13-20,22,25-36H2,2-11H3/b38-24+,39-23+
InChIKeyDGMDXWIMXBSSCY-RIZDTFTOSA-N
XLogP10.73
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500721.16
LogP ≤ 510.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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-1,6,10,34-tetraene-3,15,19,23,27,31-hexol?
The IUPAC name of (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol (CID 6480643) is (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol.
What is the SMILES notation for (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol?
The canonical SMILES for (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol is C=CC(C)(O)CC/C=C(\C)CC/C=C(\C)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-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol?
The InChIKey is DGMDXWIMXBSSCY-RIZDTFTOSA-N. The full InChI is InChI=1S/C45H84O6/c1-12-40(6,46)26-15-24-38(4)22-13-23-39(5)25-16-28-42(8,48)30-18-32-44(10,50)34-20-36-45(11,51)35-19-33-43(9,49)31-17-29-41(7,47)27-14-21-37(2)3/h12,21,23-24,46-51H,1,13-20,22,25-36H2,2-11H3/b38-24+,39-23+.
What are the key properties of (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol?
(6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol has a molecular weight of 721.16 g/mol, XLogP of 10.73, 30 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,34-tetraene-3,15,19,23,27,31-hexol is sourced from PubChem (CID 6480643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).