(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol

C40H56O — CID 87133930

IUPAC(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol
SMILESCC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC(O)C=C(C)C
InChIInChI=1S/C40H56O/c1-32(2)18-13-21-36(7)24-16-27-37(8)25-14-22-34(5)19-11-12-20-35(6)23-15-26-38(9)28-17-29-39(10)31-40(41)30-33(3)4/h11-12,14-20,22-30,40-41H,13,21,31H2,1-10H3/b12-11+,22-14+,23-15+,27-16+,28-17+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+
InChIKeyAIVAPTUQTJANQX-OTWPAFTASA-N
MW552.89 g/mol
LogP11.91
Rot. Bonds16

About (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol

(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol (PubChem CID 87133930) has the molecular formula C40H56O and a molecular weight of 552.89 g/mol. Its IUPAC name is (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol.

Molecular Properties

Compound Name(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol
PubChem CID87133930
Molecular FormulaC40H56O
Molecular Weight552.89 g/mol
Exact Mass552.43
IUPAC Name(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol
SMILESCC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC(O)C=C(C)C
InChIInChI=1S/C40H56O/c1-32(2)18-13-21-36(7)24-16-27-37(8)25-14-22-34(5)19-11-12-20-35(6)23-15-26-38(9)28-17-29-39(10)31-40(41)30-33(3)4/h11-12,14-20,22-30,40-41H,13,21,31H2,1-10H3/b12-11+,22-14+,23-15+,27-16+,28-17+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+
InChIKeyAIVAPTUQTJANQX-OTWPAFTASA-N
XLogP11.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.89
LogP ≤ 511.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol?
The IUPAC name of (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol (CID 87133930) is (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol.
What is the SMILES notation for (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol?
The canonical SMILES for (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol is CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC(O)C=C(C)C.
What is the InChIKey of (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol?
The InChIKey is AIVAPTUQTJANQX-OTWPAFTASA-N. The full InChI is InChI=1S/C40H56O/c1-32(2)18-13-21-36(7)24-16-27-37(8)25-14-22-34(5)19-11-12-20-35(6)23-15-26-38(9)28-17-29-39(10)31-40(41)30-33(3)4/h11-12,14-20,22-30,40-41H,13,21,31H2,1-10H3/b12-11+,22-14+,23-15+,27-16+,28-17+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+.
What are the key properties of (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol?
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol has a molecular weight of 552.89 g/mol, XLogP of 11.91, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-4-ol is sourced from PubChem (CID 87133930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).