(6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene

C41H68O — CID 87443303

IUPAC(6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene
SMILESCOC(C)(C)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(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/h12-13,20-22,26-28,31H,14-19,23-25,29-30,32-33H2,1-11H3/b13-12+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
InChIKeyBSRLPUSCNDHEKY-HASPIEIKSA-N
MW576.99 g/mol
LogP13.68
Rot. Bonds22

About (6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene

(6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene (PubChem CID 87443303) has the molecular formula C41H68O and a molecular weight of 576.99 g/mol. Its IUPAC name is (6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene.

Molecular Properties

Compound Name(6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene
PubChem CID87443303
Molecular FormulaC41H68O
Molecular Weight576.99 g/mol
Exact Mass576.53
IUPAC Name(6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene
SMILESCOC(C)(C)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(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/h12-13,20-22,26-28,31H,14-19,23-25,29-30,32-33H2,1-11H3/b13-12+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
InChIKeyBSRLPUSCNDHEKY-HASPIEIKSA-N
XLogP13.68
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 ≤ 513.68
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'}

Analyze (6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene?
The IUPAC name of (6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene (CID 87443303) is (6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene.
What is the SMILES notation for (6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene?
The canonical SMILES for (6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene is COC(C)(C)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene?
The InChIKey is BSRLPUSCNDHEKY-HASPIEIKSA-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/h12-13,20-22,26-28,31H,14-19,23-25,29-30,32-33H2,1-11H3/b13-12+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+.
What are the key properties of (6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene?
(6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene has a molecular weight of 576.99 g/mol, XLogP of 13.68, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,16E,18E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26-octaene is sourced from PubChem (CID 87443303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).