31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene

C41H64O — CID 78076376

IUPAC31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene
SMILESCOC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C41H64O/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/h12-13,16,18,20-22,25-28,30-31H,14-15,17,19,23-24,29,32-33H2,1-11H3
InChIKeyBISHVLROUFQUDS-UHFFFAOYSA-N
MW572.96 g/mol
LogP13.23
Rot. Bonds20

About 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene

31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene (PubChem CID 78076376) has the molecular formula C41H64O and a molecular weight of 572.96 g/mol. Its IUPAC name is 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene.

Molecular Properties

Compound Name31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene
PubChem CID78076376
Molecular FormulaC41H64O
Molecular Weight572.96 g/mol
Exact Mass572.50
IUPAC Name31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene
SMILESCOC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C41H64O/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/h12-13,16,18,20-22,25-28,30-31H,14-15,17,19,23-24,29,32-33H2,1-11H3
InChIKeyBISHVLROUFQUDS-UHFFFAOYSA-N
XLogP13.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.96
LogP ≤ 513.23
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'}

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Frequently Asked Questions

What is the IUPAC name of 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene?
The IUPAC name of 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene (CID 78076376) is 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene.
What is the SMILES notation for 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene?
The canonical SMILES for 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene is COC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene?
The InChIKey is BISHVLROUFQUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H64O/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/h12-13,16,18,20-22,25-28,30-31H,14-15,17,19,23-24,29,32-33H2,1-11H3.
What are the key properties of 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene?
31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene has a molecular weight of 572.96 g/mol, XLogP of 13.23, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26-decaene is sourced from PubChem (CID 78076376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).