(2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol

C40H74O5 — CID 171354234

IUPAC(2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol
SMILESCC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C40H74O5/c1-33(2)17-12-24-37(6,42)26-14-28-39(8,44)30-16-31-40(9,45)29-15-27-38(7,43)25-13-22-35(4)20-10-18-34(3)19-11-21-36(5)23-32-41/h17,19-20,23,41-45H,10-16,18,21-22,24-32H2,1-9H3/b34-19+,35-20+,36-23+
InChIKeyNRHQGMHZGRLBGG-HDBHYADGSA-N
MW635.03 g/mol
LogP9.81
Rot. Bonds26

About (2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol

(2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol (PubChem CID 171354234) has the molecular formula C40H74O5 and a molecular weight of 635.03 g/mol. Its IUPAC name is (2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol.

Molecular Properties

Compound Name(2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol
PubChem CID171354234
Molecular FormulaC40H74O5
Molecular Weight635.03 g/mol
Exact Mass634.55
IUPAC Name(2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol
SMILESCC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C40H74O5/c1-33(2)17-12-24-37(6,42)26-14-28-39(8,44)30-16-31-40(9,45)29-15-27-38(7,43)25-13-22-35(4)20-10-18-34(3)19-11-21-36(5)23-32-41/h17,19-20,23,41-45H,10-16,18,21-22,24-32H2,1-9H3/b34-19+,35-20+,36-23+
InChIKeyNRHQGMHZGRLBGG-HDBHYADGSA-N
XLogP9.81
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.03
LogP ≤ 59.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 (2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol?
The IUPAC name of (2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol (CID 171354234) is (2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol.
What is the SMILES notation for (2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol?
The canonical SMILES for (2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol is CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol?
The InChIKey is NRHQGMHZGRLBGG-HDBHYADGSA-N. The full InChI is InChI=1S/C40H74O5/c1-33(2)17-12-24-37(6,42)26-14-28-39(8,44)30-16-31-40(9,45)29-15-27-38(7,43)25-13-22-35(4)20-10-18-34(3)19-11-21-36(5)23-32-41/h17,19-20,23,41-45H,10-16,18,21-22,24-32H2,1-9H3/b34-19+,35-20+,36-23+.
What are the key properties of (2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol?
(2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol has a molecular weight of 635.03 g/mol, XLogP of 9.81, 26 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,30-tetraene-1,15,19,23,27-pentol is sourced from PubChem (CID 171354234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).