(4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene

C41H68O — CID 70680581

IUPAC(4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene
SMILESCOC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C\CC/C=C(\C)CCCC(C)CC/C=C(\C)CCCC(C)C
InChIInChI=1S/C41H68O/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/h16,18-19,21-22,25-26,28,30-32,34,38H,12-15,17,20,23-24,27,29,33H2,1-11H3/b25-16+,30-18+,32-19+,35-21+,36-22-,37-26+,39-28+,40-31+
InChIKeyTWHGSYWWYUEARU-FVTQQQKZSA-N
MW576.99 g/mol
LogP13.39
Rot. Bonds22

About (4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene

(4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene (PubChem CID 70680581) has the molecular formula C41H68O and a molecular weight of 576.99 g/mol. Its IUPAC name is (4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene.

Molecular Properties

Compound Name(4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene
PubChem CID70680581
Molecular FormulaC41H68O
Molecular Weight576.99 g/mol
Exact Mass576.53
IUPAC Name(4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene
SMILESCOC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C\CC/C=C(\C)CCCC(C)CC/C=C(\C)CCCC(C)C
InChIInChI=1S/C41H68O/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/h16,18-19,21-22,25-26,28,30-32,34,38H,12-15,17,20,23-24,27,29,33H2,1-11H3/b25-16+,30-18+,32-19+,35-21+,36-22-,37-26+,39-28+,40-31+
InChIKeyTWHGSYWWYUEARU-FVTQQQKZSA-N
XLogP13.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.99
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene?
The IUPAC name of (4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene (CID 70680581) is (4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene.
What is the SMILES notation for (4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene?
The canonical SMILES for (4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene is COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C\CC/C=C(\C)CCCC(C)CC/C=C(\C)CCCC(C)C.
What is the InChIKey of (4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene?
The InChIKey is TWHGSYWWYUEARU-FVTQQQKZSA-N. The full InChI is InChI=1S/C41H68O/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/h16,18-19,21-22,25-26,28,30-32,34,38H,12-15,17,20,23-24,27,29,33H2,1-11H3/b25-16+,30-18+,32-19+,35-21+,36-22-,37-26+,39-28+,40-31+.
What are the key properties of (4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene?
(4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene has a molecular weight of 576.99 g/mol, XLogP of 13.39, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8E,10E,12E,14Z,18E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,18,26-octaene is sourced from PubChem (CID 70680581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).