(6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene

C41H76O — CID 163201263

IUPAC(6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene
SMILESCOC(C)(C)CCC[C@@H](C)C/C=C/[C@H](C)C/C=C/[C@@H](C)C/C=C/C[C@@H](C)/C=C/C[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/h12-13,15-16,18,24-25,30,34-40H,14,17,19-23,26-29,31-33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+/t35-,36+,37+,38-,39-,40+/m1/s1
InChIKeyGJPNLBTYZJTAPC-GMTNPYETSA-N
MW585.06 g/mol
LogP13.57
Rot. Bonds26

About (6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene

(6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene (PubChem CID 163201263) has the molecular formula C41H76O and a molecular weight of 585.06 g/mol. Its IUPAC name is (6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene.

Molecular Properties

Compound Name(6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene
PubChem CID163201263
Molecular FormulaC41H76O
Molecular Weight585.06 g/mol
Exact Mass584.59
IUPAC Name(6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene
SMILESCOC(C)(C)CCC[C@@H](C)C/C=C/[C@H](C)C/C=C/[C@@H](C)C/C=C/C[C@@H](C)/C=C/C[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/h12-13,15-16,18,24-25,30,34-40H,14,17,19-23,26-29,31-33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+/t35-,36+,37+,38-,39-,40+/m1/s1
InChIKeyGJPNLBTYZJTAPC-GMTNPYETSA-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 (6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene?
The IUPAC name of (6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene (CID 163201263) is (6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene.
What is the SMILES notation for (6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene?
The canonical SMILES for (6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene is COC(C)(C)CCC[C@@H](C)C/C=C/[C@H](C)C/C=C/[C@@H](C)C/C=C/C[C@@H](C)/C=C/C[C@@H](C)CCC[C@@H](C)CCCC(C)C.
What is the InChIKey of (6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene?
The InChIKey is GJPNLBTYZJTAPC-GMTNPYETSA-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/h12-13,15-16,18,24-25,30,34-40H,14,17,19-23,26-29,31-33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+/t35-,36+,37+,38-,39-,40+/m1/s1.
What are the key properties of (6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene?
(6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-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 (6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene is sourced from PubChem (CID 163201263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).