1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one

C18H42O3Si3 — CID 59623649

IUPAC1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC(=O)C(C)CC
InChIInChI=1S/C18H42O3Si3/c1-10-12-15-22(4,5)20-24(8,9)21-23(6,7)16-13-14-18(19)17(3)11-2/h17H,10-16H2,1-9H3
InChIKeyMKWZHKHGLPRSHU-UHFFFAOYSA-N
MW390.79 g/mol
LogP6.33
Rot. Bonds13

About 1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one

1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one (PubChem CID 59623649) has the molecular formula C18H42O3Si3 and a molecular weight of 390.79 g/mol. Its IUPAC name is 1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one.

Molecular Properties

Compound Name1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one
PubChem CID59623649
Molecular FormulaC18H42O3Si3
Molecular Weight390.79 g/mol
Exact Mass390.24
IUPAC Name1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC(=O)C(C)CC
InChIInChI=1S/C18H42O3Si3/c1-10-12-15-22(4,5)20-24(8,9)21-23(6,7)16-13-14-18(19)17(3)11-2/h17H,10-16H2,1-9H3
InChIKeyMKWZHKHGLPRSHU-UHFFFAOYSA-N
XLogP6.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.79
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one?
The IUPAC name of 1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one (CID 59623649) is 1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one.
What is the SMILES notation for 1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one?
The canonical SMILES for 1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one is CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC(=O)C(C)CC.
What is the InChIKey of 1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one?
The InChIKey is MKWZHKHGLPRSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O3Si3/c1-10-12-15-22(4,5)20-24(8,9)21-23(6,7)16-13-14-18(19)17(3)11-2/h17H,10-16H2,1-9H3.
What are the key properties of 1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one?
1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one has a molecular weight of 390.79 g/mol, XLogP of 6.33, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one is sourced from PubChem (CID 59623649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).