(6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene

C41H60O — CID 5289392

IUPAC(6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene
SMILESCOC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C41H60O/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/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22-,37-26+,38-27+,39-28+,40-31+
InChIKeyFJOCMTHZSURUFA-KXCOHNEYSA-N
MW568.93 g/mol
LogP12.79
Rot. Bonds18

About (6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene

(6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene (PubChem CID 5289392) has the molecular formula C41H60O and a molecular weight of 568.93 g/mol. Its IUPAC name is (6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene.

Molecular Properties

Compound Name(6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene
PubChem CID5289392
Molecular FormulaC41H60O
Molecular Weight568.93 g/mol
Exact Mass568.46
IUPAC Name(6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene
SMILESCOC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C41H60O/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/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22-,37-26+,38-27+,39-28+,40-31+
InChIKeyFJOCMTHZSURUFA-KXCOHNEYSA-N
XLogP12.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.93
LogP ≤ 512.79
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,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene?
The IUPAC name of (6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene (CID 5289392) is (6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene.
What is the SMILES notation for (6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene?
The canonical SMILES for (6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene is COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C\C=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,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene?
The InChIKey is FJOCMTHZSURUFA-KXCOHNEYSA-N. The full InChI is InChI=1S/C41H60O/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/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22-,37-26+,38-27+,39-28+,40-31+.
What are the key properties of (6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene?
(6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene has a molecular weight of 568.93 g/mol, XLogP of 12.79, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,12E,14E,16E,18Z,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene is sourced from PubChem (CID 5289392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).