1-cyclohexyl-1-trimethylsilyloxybutan-2-one

C13H26O2Si — CID 10955751

IUPAC1-cyclohexyl-1-trimethylsilyloxybutan-2-one
SMILESCCC(=O)C(O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C13H26O2Si/c1-5-12(14)13(15-16(2,3)4)11-9-7-6-8-10-11/h11,13H,5-10H2,1-4H3
InChIKeyTXQAJQMTXBMJHA-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.77
Rot. Bonds5

About 1-cyclohexyl-1-trimethylsilyloxybutan-2-one

1-cyclohexyl-1-trimethylsilyloxybutan-2-one (PubChem CID 10955751) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-cyclohexyl-1-trimethylsilyloxybutan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-trimethylsilyloxybutan-2-one
PubChem CID10955751
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1-cyclohexyl-1-trimethylsilyloxybutan-2-one
SMILESCCC(=O)C(O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C13H26O2Si/c1-5-12(14)13(15-16(2,3)4)11-9-7-6-8-10-11/h11,13H,5-10H2,1-4H3
InChIKeyTXQAJQMTXBMJHA-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.77
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

3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
1,2-Dicyclohexyl-2-trimethylsilyloxyethanone
CID 10590062
(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
1-Cyclohexyl-1-methoxypropan-2-one
CID 57809485
2-[Tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 10945058
trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one
CID 11344921
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 101697282
4-Cyclohexyl-5-trimethylsilyloxyhexan-3-one
CID 134859510
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 134889630
cis-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-but-2-ynylcyclohexan-1-one
CID 139254985
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
CID 145996496

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-trimethylsilyloxybutan-2-one?
The IUPAC name of 1-cyclohexyl-1-trimethylsilyloxybutan-2-one (CID 10955751) is 1-cyclohexyl-1-trimethylsilyloxybutan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-trimethylsilyloxybutan-2-one?
The canonical SMILES for 1-cyclohexyl-1-trimethylsilyloxybutan-2-one is CCC(=O)C(O[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-trimethylsilyloxybutan-2-one?
The InChIKey is TXQAJQMTXBMJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-5-12(14)13(15-16(2,3)4)11-9-7-6-8-10-11/h11,13H,5-10H2,1-4H3.
What are the key properties of 1-cyclohexyl-1-trimethylsilyloxybutan-2-one?
1-cyclohexyl-1-trimethylsilyloxybutan-2-one has a molecular weight of 242.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-trimethylsilyloxybutan-2-one is sourced from PubChem (CID 10955751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).