4-propyl-4-trimethylsilyloxycyclohexan-1-one

C12H24O2Si — CID 121012079

IUPAC4-propyl-4-trimethylsilyloxycyclohexan-1-one
SMILESCCCC1(O[Si](C)(C)C)CCC(=O)CC1
InChIInChI=1S/C12H24O2Si/c1-5-8-12(14-15(2,3)4)9-6-11(13)7-10-12/h5-10H2,1-4H3
InChIKeyAJCOEZZYAPGJAX-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.52
Rot. Bonds4

About 4-propyl-4-trimethylsilyloxycyclohexan-1-one

4-propyl-4-trimethylsilyloxycyclohexan-1-one (PubChem CID 121012079) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 4-propyl-4-trimethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Name4-propyl-4-trimethylsilyloxycyclohexan-1-one
PubChem CID121012079
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name4-propyl-4-trimethylsilyloxycyclohexan-1-one
SMILESCCCC1(O[Si](C)(C)C)CCC(=O)CC1
InChIInChI=1S/C12H24O2Si/c1-5-8-12(14-15(2,3)4)9-6-11(13)7-10-12/h5-10H2,1-4H3
InChIKeyAJCOEZZYAPGJAX-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

4-Triethylsiloxy-4-trifluoromethylcyclohexanone
CID 20062026
4-[Tert-butyl(dimethyl)silyl]oxy-4-methyl-cyclohexanone
CID 90036669
3-(1-Trimethylsilyloxycyclohexyl)cyclohexan-1-one
CID 122214305
3-[1-[Tert-butyl(dimethyl)silyl]oxy-1-methyl-ethyl]cyclohexanone
CID 122214308
4-(2-Trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one
CID 138982717
CID 164684546
CID 164684546
4-Methyl-4-trimethylsilyloxycyclohexan-1-one
CID 14659393
2-[2-(Tert-butyldimethylsilyloxy)ethyl]cyclohexanone
CID 16663521
2-Methyl-2-triethylsilyloxycyclohexan-1-one
CID 23213070
CID 67020957
CID 67020957
2-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-one
CID 67592134
2-Methyl-2-trimethylsilylperoxycyclohexan-1-one
CID 85538860

Frequently Asked Questions

What is the IUPAC name of 4-propyl-4-trimethylsilyloxycyclohexan-1-one?
The IUPAC name of 4-propyl-4-trimethylsilyloxycyclohexan-1-one (CID 121012079) is 4-propyl-4-trimethylsilyloxycyclohexan-1-one.
What is the SMILES notation for 4-propyl-4-trimethylsilyloxycyclohexan-1-one?
The canonical SMILES for 4-propyl-4-trimethylsilyloxycyclohexan-1-one is CCCC1(O[Si](C)(C)C)CCC(=O)CC1.
What is the InChIKey of 4-propyl-4-trimethylsilyloxycyclohexan-1-one?
The InChIKey is AJCOEZZYAPGJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-5-8-12(14-15(2,3)4)9-6-11(13)7-10-12/h5-10H2,1-4H3.
What are the key properties of 4-propyl-4-trimethylsilyloxycyclohexan-1-one?
4-propyl-4-trimethylsilyloxycyclohexan-1-one has a molecular weight of 228.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-4-trimethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 121012079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).