(6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene

C41H72O — CID 162393528

IUPAC(6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene
SMILESCOC(C)(C)C/C=C/C(C)CCCC(C)CCCC(C)CC/C=C/C(C)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C41H72O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12,15,19-21,24,26-27,32,35-36,39-40H,13-14,16-18,22-23,25,28-31,33H2,1-11H3/b21-12+,24-15+,32-19+,37-26+,38-27+
InChIKeyGLKGKBXEWQEYGA-XVXXUBSWSA-N
MW581.03 g/mol
LogP13.55
Rot. Bonds24

About (6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene

(6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene (PubChem CID 162393528) has the molecular formula C41H72O and a molecular weight of 581.03 g/mol. Its IUPAC name is (6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene.

Molecular Properties

Compound Name(6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene
PubChem CID162393528
Molecular FormulaC41H72O
Molecular Weight581.03 g/mol
Exact Mass580.56
IUPAC Name(6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene
SMILESCOC(C)(C)C/C=C/C(C)CCCC(C)CCCC(C)CC/C=C/C(C)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C41H72O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12,15,19-21,24,26-27,32,35-36,39-40H,13-14,16-18,22-23,25,28-31,33H2,1-11H3/b21-12+,24-15+,32-19+,37-26+,38-27+
InChIKeyGLKGKBXEWQEYGA-XVXXUBSWSA-N
XLogP13.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.03
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene?
The IUPAC name of (6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene (CID 162393528) is (6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene.
What is the SMILES notation for (6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene?
The canonical SMILES for (6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene is COC(C)(C)C/C=C/C(C)CCCC(C)CCCC(C)CC/C=C/C(C)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene?
The InChIKey is GLKGKBXEWQEYGA-XVXXUBSWSA-N. The full InChI is InChI=1S/C41H72O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12,15,19-21,24,26-27,32,35-36,39-40H,13-14,16-18,22-23,25,28-31,33H2,1-11H3/b21-12+,24-15+,32-19+,37-26+,38-27+.
What are the key properties of (6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene?
(6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene has a molecular weight of 581.03 g/mol, XLogP of 13.55, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,12E,15E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,15,28-hexaene is sourced from PubChem (CID 162393528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).