(1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone

C17H40OSi4 — CID 6426216

IUPAC(1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone
SMILESCC1(C(=O)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CCCCC1
InChIInChI=1S/C17H40OSi4/c1-17(14-12-11-13-15-17)16(18)22(19(2,3)4,20(5,6)7)21(8,9)10/h11-15H2,1-10H3
InChIKeyCELNOHNMBBDOEU-UHFFFAOYSA-N
MW372.85 g/mol
LogP5.76
Rot. Bonds5

About (1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone

(1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone (PubChem CID 6426216) has the molecular formula C17H40OSi4 and a molecular weight of 372.85 g/mol. Its IUPAC name is (1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone.

Molecular Properties

Compound Name(1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone
PubChem CID6426216
Molecular FormulaC17H40OSi4
Molecular Weight372.85 g/mol
Exact Mass372.22
IUPAC Name(1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone
SMILESCC1(C(=O)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CCCCC1
InChIInChI=1S/C17H40OSi4/c1-17(14-12-11-13-15-17)16(18)22(19(2,3)4,20(5,6)7)21(8,9)10/h11-15H2,1-10H3
InChIKeyCELNOHNMBBDOEU-UHFFFAOYSA-N
XLogP5.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.85
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone?
The IUPAC name of (1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone (CID 6426216) is (1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone.
What is the SMILES notation for (1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone?
The canonical SMILES for (1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone is CC1(C(=O)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone?
The InChIKey is CELNOHNMBBDOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40OSi4/c1-17(14-12-11-13-15-17)16(18)22(19(2,3)4,20(5,6)7)21(8,9)10/h11-15H2,1-10H3.
What are the key properties of (1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone?
(1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone has a molecular weight of 372.85 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-tris(trimethylsilyl)silylmethanone is sourced from PubChem (CID 6426216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).