4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one

C12H24O2Si — CID 10609430

IUPAC4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC(=O)CC1
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h11H,6-9H2,1-5H3
InChIKeyHXKBGMNGSYGPRB-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.52
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one

4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one (PubChem CID 10609430) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
PubChem CID10609430
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC(=O)CC1
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h11H,6-9H2,1-5H3
InChIKeyHXKBGMNGSYGPRB-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.52
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-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one (CID 10609430) is 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one is CC(C)(C)[Si](C)(C)OC1CCC(=O)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
The InChIKey is HXKBGMNGSYGPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h11H,6-9H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one has a molecular weight of 228.41 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one is sourced from PubChem (CID 10609430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).