(4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene

C41H76O — CID 163201260

IUPAC(4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene
SMILESCOC(C)(C)C/C=C/[C@@H](C)C/C=C/[C@@H](C)C/C=C/[C@@H](C)C/C=C/C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C41H76O/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/h12-13,16,18-19,25,30,32,34-40H,14-15,17,20-24,26-29,31,33H2,1-11H3/b13-12+,25-16+,30-18+,32-19+/t35-,36-,37+,38-,39-,40-/m0/s1
InChIKeyFXFCZZLWRJJUEK-OXENPRPZSA-N
MW585.06 g/mol
LogP13.57
Rot. Bonds26

About (4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene

(4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene (PubChem CID 163201260) has the molecular formula C41H76O and a molecular weight of 585.06 g/mol. Its IUPAC name is (4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene.

Molecular Properties

Compound Name(4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene
PubChem CID163201260
Molecular FormulaC41H76O
Molecular Weight585.06 g/mol
Exact Mass584.59
IUPAC Name(4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene
SMILESCOC(C)(C)C/C=C/[C@@H](C)C/C=C/[C@@H](C)C/C=C/[C@@H](C)C/C=C/C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C41H76O/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/h12-13,16,18-19,25,30,32,34-40H,14-15,17,20-24,26-29,31,33H2,1-11H3/b13-12+,25-16+,30-18+,32-19+/t35-,36-,37+,38-,39-,40-/m0/s1
InChIKeyFXFCZZLWRJJUEK-OXENPRPZSA-N
XLogP13.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.06
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene with MolForge

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Related Compounds

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CID 155294478
(4E,8E,12E,17E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,17,28-pentaene
CID 155294492
(4E,6E,8E,11E,24E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,11,24,28-hexaene
CID 73437602
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Frequently Asked Questions

What is the IUPAC name of (4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene?
The IUPAC name of (4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene (CID 163201260) is (4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene.
What is the SMILES notation for (4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene?
The canonical SMILES for (4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene is COC(C)(C)C/C=C/[C@@H](C)C/C=C/[C@@H](C)C/C=C/[C@@H](C)C/C=C/C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene?
The InChIKey is FXFCZZLWRJJUEK-OXENPRPZSA-N. The full InChI is InChI=1S/C41H76O/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/h12-13,16,18-19,25,30,32,34-40H,14-15,17,20-24,26-29,31,33H2,1-11H3/b13-12+,25-16+,30-18+,32-19+/t35-,36-,37+,38-,39-,40-/m0/s1.
What are the key properties of (4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene?
(4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene has a molecular weight of 585.06 g/mol, XLogP of 13.57, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6S,8E,10S,12E,14S,16E,19R,23R,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,8,12,16-tetraene is sourced from PubChem (CID 163201260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).