trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one

C11H22O2Si — CID 11344921

IUPACtrans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one
SMILESCC[C@H]1CCCC(=O)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-5-9-7-6-8-10(12)11(9)13-14(2,3)4/h9,11H,5-8H2,1-4H3/t9-,11+/m0/s1
InChIKeyILKNANSGWXXDBJ-GXSJLCMTSA-N
MW214.38 g/mol
LogP2.99
Rot. Bonds3

About trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one

trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one (PubChem CID 11344921) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one
PubChem CID11344921
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nametrans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one
SMILESCC[C@H]1CCCC(=O)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-5-9-7-6-8-10(12)11(9)13-14(2,3)4/h9,11H,5-8H2,1-4H3/t9-,11+/m0/s1
InChIKeyILKNANSGWXXDBJ-GXSJLCMTSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
1,2-Dicyclohexyl-2-trimethylsilyloxyethanone
CID 10590062
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylcyclohexan-1-one
CID 11807310
(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
2-[Tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 10945058
trans-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylcyclohexan-1-one
CID 11097207
(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 trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one?
The IUPAC name of trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one (CID 11344921) is trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one.
What is the SMILES notation for trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one?
The canonical SMILES for trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one is CC[C@H]1CCCC(=O)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one?
The InChIKey is ILKNANSGWXXDBJ-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-5-9-7-6-8-10(12)11(9)13-14(2,3)4/h9,11H,5-8H2,1-4H3/t9-,11+/m0/s1.
What are the key properties of trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one?
trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one has a molecular weight of 214.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 11344921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).