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

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

(6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene (PubChem CID 155926556) has the molecular formula C41H62O and a molecular weight of 570.95 g/mol. Its IUPAC name is (6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene.

Molecular Properties

Compound Name	(6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene
PubChem CID	155926556
Molecular Formula	C41H62O
Molecular Weight	570.95 g/mol
Exact Mass	570.48
IUPAC Name	(6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene
SMILES	COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/CC/C(C)=C/C=C/C=C(C)\C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChI	InChI=1S/C41H62O/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/h12-13,15,18-22,24,26-28,30-32H,14,16-17,23,25,29,33H2,1-11H3/b13-12+,24-15-,30-18+,32-19+,35-21-,36-22+,37-26+,38-27+,39-28+,40-31+
InChIKey	OECHIVOAALKGBY-ZLIZGEKQSA-N
XLogP	13.01
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	19
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.95
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene?

The IUPAC name of (6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene (CID 155926556) is (6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene.

What is the SMILES notation for (6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene?

The canonical SMILES for (6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene is COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/CC/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,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene?

The InChIKey is OECHIVOAALKGBY-ZLIZGEKQSA-N. The full InChI is InChI=1S/C41H62O/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/h12-13,15,18-22,24,26-28,30-32H,14,16-17,23,25,29,33H2,1-11H3/b13-12+,24-15-,30-18+,32-19+,35-21-,36-22+,37-26+,38-27+,39-28+,40-31+.

What are the key properties of (6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene?

(6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene has a molecular weight of 570.95 g/mol, XLogP of 13.01, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (6E,10E,12Z,14Z,16E,18E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,24,26,28-undecaene is sourced from PubChem (CID 155926556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).