(6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol

C40H64O — CID 6443014

IUPAC(6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O
InChIInChI=1S/C40H64O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,15,19-21,24-27,30,41H,13-14,16-18,22-23,28-29,31-32H2,1-10H3/b12-11+,24-15+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
InChIKeyCQOHINZSZJTFLS-FEBKVIDOSA-N
MW560.95 g/mol
LogP12.80
Rot. Bonds20

About (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol

(6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol (PubChem CID 6443014) has the molecular formula C40H64O and a molecular weight of 560.95 g/mol. Its IUPAC name is (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol.

Molecular Properties

Compound Name(6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol
PubChem CID6443014
Molecular FormulaC40H64O
Molecular Weight560.95 g/mol
Exact Mass560.50
IUPAC Name(6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O
InChIInChI=1S/C40H64O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,15,19-21,24-27,30,41H,13-14,16-18,22-23,28-29,31-32H2,1-10H3/b12-11+,24-15+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
InChIKeyCQOHINZSZJTFLS-FEBKVIDOSA-N
XLogP12.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.95
LogP ≤ 512.80
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,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol?
The IUPAC name of (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol (CID 6443014) is (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol.
What is the SMILES notation for (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol?
The canonical SMILES for (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O.
What is the InChIKey of (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol?
The InChIKey is CQOHINZSZJTFLS-FEBKVIDOSA-N. The full InChI is InChI=1S/C40H64O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,15,19-21,24-27,30,41H,13-14,16-18,22-23,28-29,31-32H2,1-10H3/b12-11+,24-15+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+.
What are the key properties of (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol?
(6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol has a molecular weight of 560.95 g/mol, XLogP of 12.80, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol is sourced from PubChem (CID 6443014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).