4-methyl-4-trimethylsilyloxycyclohexan-1-one

C10H20O2Si — CID 14659393

IUPAC4-methyl-4-trimethylsilyloxycyclohexan-1-one
SMILESCC1(O[Si](C)(C)C)CCC(=O)CC1
InChIInChI=1S/C10H20O2Si/c1-10(12-13(2,3)4)7-5-9(11)6-8-10/h5-8H2,1-4H3
InChIKeySROGSSXFGGXJFG-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.74
Rot. Bonds2

About 4-methyl-4-trimethylsilyloxycyclohexan-1-one

4-methyl-4-trimethylsilyloxycyclohexan-1-one (PubChem CID 14659393) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 4-methyl-4-trimethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-4-trimethylsilyloxycyclohexan-1-one
PubChem CID14659393
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name4-methyl-4-trimethylsilyloxycyclohexan-1-one
SMILESCC1(O[Si](C)(C)C)CCC(=O)CC1
InChIInChI=1S/C10H20O2Si/c1-10(12-13(2,3)4)7-5-9(11)6-8-10/h5-8H2,1-4H3
InChIKeySROGSSXFGGXJFG-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-methyl-4-trimethylsilyloxycyclohexan-1-one?
The IUPAC name of 4-methyl-4-trimethylsilyloxycyclohexan-1-one (CID 14659393) is 4-methyl-4-trimethylsilyloxycyclohexan-1-one.
What is the SMILES notation for 4-methyl-4-trimethylsilyloxycyclohexan-1-one?
The canonical SMILES for 4-methyl-4-trimethylsilyloxycyclohexan-1-one is CC1(O[Si](C)(C)C)CCC(=O)CC1.
What is the InChIKey of 4-methyl-4-trimethylsilyloxycyclohexan-1-one?
The InChIKey is SROGSSXFGGXJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-10(12-13(2,3)4)7-5-9(11)6-8-10/h5-8H2,1-4H3.
What are the key properties of 4-methyl-4-trimethylsilyloxycyclohexan-1-one?
4-methyl-4-trimethylsilyloxycyclohexan-1-one has a molecular weight of 200.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-trimethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 14659393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).