1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one

C25H54O5Si2 — CID 87593225

IUPAC1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one
SMILESCCO[Si](C)(CCCCCC(C)C(=O)C(C)CCCCC[Si](C)(OCC)OCC)OCC
InChIInChI=1S/C25H54O5Si2/c1-9-27-31(7,28-10-2)21-17-13-15-19-23(5)25(26)24(6)20-16-14-18-22-32(8,29-11-3)30-12-4/h23-24H,9-22H2,1-8H3
InChIKeyWIWNVOBNOPARGR-UHFFFAOYSA-N
MW490.87 g/mol
LogP7.24
Rot. Bonds22

About 1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one

1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one (PubChem CID 87593225) has the molecular formula C25H54O5Si2 and a molecular weight of 490.87 g/mol. Its IUPAC name is 1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one.

Molecular Properties

Compound Name1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one
PubChem CID87593225
Molecular FormulaC25H54O5Si2
Molecular Weight490.87 g/mol
Exact Mass490.35
IUPAC Name1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one
SMILESCCO[Si](C)(CCCCCC(C)C(=O)C(C)CCCCC[Si](C)(OCC)OCC)OCC
InChIInChI=1S/C25H54O5Si2/c1-9-27-31(7,28-10-2)21-17-13-15-19-23(5)25(26)24(6)20-16-14-18-22-32(8,29-11-3)30-12-4/h23-24H,9-22H2,1-8H3
InChIKeyWIWNVOBNOPARGR-UHFFFAOYSA-N
XLogP7.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.87
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one?
The IUPAC name of 1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one (CID 87593225) is 1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one.
What is the SMILES notation for 1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one?
The canonical SMILES for 1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one is CCO[Si](C)(CCCCCC(C)C(=O)C(C)CCCCC[Si](C)(OCC)OCC)OCC.
What is the InChIKey of 1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one?
The InChIKey is WIWNVOBNOPARGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54O5Si2/c1-9-27-31(7,28-10-2)21-17-13-15-19-23(5)25(26)24(6)20-16-14-18-22-32(8,29-11-3)30-12-4/h23-24H,9-22H2,1-8H3.
What are the key properties of 1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one?
1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one has a molecular weight of 490.87 g/mol, XLogP of 7.24, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,13-bis[diethoxy(methyl)silyl]-6,8-dimethyltridecan-7-one is sourced from PubChem (CID 87593225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).