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

C41H68O — CID 155926563

IUPAC(6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene
SMILESCOC(C)(C)C/C=C/C(C)CCCC(C)CCC/C(C)=C/C=C/C=C(C)\C=C/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/h12-13,15,19-22,24,26-27,32,39-40H,14,16-18,23,25,28-31,33H2,1-11H3/b13-12+,24-15-,32-19+,35-21-,36-22+,37-26-,38-27-
InChIKeyNJHFEASLSMAOPX-VTUZZFNPSA-N
MW576.99 g/mol
LogP13.39
Rot. Bonds22

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

(6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene (PubChem CID 155926563) has the molecular formula C41H68O and a molecular weight of 576.99 g/mol. Its IUPAC name is (6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene.

Molecular Properties

Compound Name(6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene
PubChem CID155926563
Molecular FormulaC41H68O
Molecular Weight576.99 g/mol
Exact Mass576.53
IUPAC Name(6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene
SMILESCOC(C)(C)C/C=C/C(C)CCCC(C)CCC/C(C)=C/C=C/C=C(C)\C=C/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/h12-13,15,19-22,24,26-27,32,39-40H,14,16-18,23,25,28-31,33H2,1-11H3/b13-12+,24-15-,32-19+,35-21-,36-22+,37-26-,38-27-
InChIKeyNJHFEASLSMAOPX-VTUZZFNPSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-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 (6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene?
The IUPAC name of (6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene (CID 155926563) is (6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene.
What is the SMILES notation for (6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene?
The canonical SMILES for (6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene is COC(C)(C)C/C=C/C(C)CCCC(C)CCC/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 (6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene?
The InChIKey is NJHFEASLSMAOPX-VTUZZFNPSA-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/h12-13,15,19-22,24,26-27,32,39-40H,14,16-18,23,25,28-31,33H2,1-11H3/b13-12+,24-15-,32-19+,35-21-,36-22+,37-26-,38-27-.
What are the key properties of (6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene?
(6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-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 (6Z,10Z,12Z,14Z,16E,18E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,28-octaene is sourced from PubChem (CID 155926563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).