(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one

C41H78O — CID 6272650

IUPAC(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
SMILESC/C(=C\CC(=O)C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C41H78O/c1-33(2)17-11-19-35(5)21-13-23-37(7)25-15-27-39(9)29-31-41(42)32-30-40(10)28-16-26-38(8)24-14-22-36(6)20-12-18-34(3)4/h29-30,33-38H,11-28,31-32H2,1-10H3/b39-29+,40-30+
InChIKeyQDODCFMDVOQVTB-NXRKLTDKSA-N
MW587.07 g/mol
LogP14.11
Rot. Bonds28

About (14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one

(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one (PubChem CID 6272650) has the molecular formula C41H78O and a molecular weight of 587.07 g/mol. Its IUPAC name is (14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one.

Molecular Properties

Compound Name(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
PubChem CID6272650
Molecular FormulaC41H78O
Molecular Weight587.07 g/mol
Exact Mass586.61
IUPAC Name(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
SMILESC/C(=C\CC(=O)C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C41H78O/c1-33(2)17-11-19-35(5)21-13-23-37(7)25-15-27-39(9)29-31-41(42)32-30-40(10)28-16-26-38(8)24-14-22-36(6)20-12-18-34(3)4/h29-30,33-38H,11-28,31-32H2,1-10H3/b39-29+,40-30+
InChIKeyQDODCFMDVOQVTB-NXRKLTDKSA-N
XLogP14.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.07
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one with MolForge

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Related Compounds

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CID 160640482
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Frequently Asked Questions

What is the IUPAC name of (14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one?
The IUPAC name of (14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one (CID 6272650) is (14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one.
What is the SMILES notation for (14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one?
The canonical SMILES for (14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one is C/C(=C\CC(=O)C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one?
The InChIKey is QDODCFMDVOQVTB-NXRKLTDKSA-N. The full InChI is InChI=1S/C41H78O/c1-33(2)17-11-19-35(5)21-13-23-37(7)25-15-27-39(9)29-31-41(42)32-30-40(10)28-16-26-38(8)24-14-22-36(6)20-12-18-34(3)4/h29-30,33-38H,11-28,31-32H2,1-10H3/b39-29+,40-30+.
What are the key properties of (14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one?
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one has a molecular weight of 587.07 g/mol, XLogP of 14.11, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one is sourced from PubChem (CID 6272650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).