2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone

C20H38O2Si — CID 10759483

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H38O2Si/c1-20(2,3)23(4,5)22-19(17-14-10-7-11-15-17)18(21)16-12-8-6-9-13-16/h16-17,19H,6-15H2,1-5H3
InChIKeyBHWQVRPAOGYKCA-UHFFFAOYSA-N
MW338.61 g/mol
LogP6.11
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone

2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone (PubChem CID 10759483) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone
PubChem CID10759483
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H38O2Si/c1-20(2,3)23(4,5)22-19(17-14-10-7-11-15-17)18(21)16-12-8-6-9-13-16/h16-17,19H,6-15H2,1-5H3
InChIKeyBHWQVRPAOGYKCA-UHFFFAOYSA-N
XLogP6.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.11
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
(1R)-1-[tert-butylsilyloxy(dimethyl)silyl]oxy-1-cyclohexyl-4,4,4-trifluoro-3-methylbutan-2-one
CID 150817053
2-[Tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 10945058
trans-(2R,3S)-3-ethyl-2-trimethylsilyloxycyclohexan-1-one
CID 11344921
trans-(2S,5R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11832982
trans-(2R,5S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 45378851
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 101697282
1,2-Dicyclohexyl-1-trimethylsilyloxypentan-3-one
CID 134838782
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 134889630

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone (CID 10759483) is 2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone is CC(C)(C)[Si](C)(C)OC(C(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone?
The InChIKey is BHWQVRPAOGYKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-20(2,3)23(4,5)22-19(17-14-10-7-11-15-17)18(21)16-12-8-6-9-13-16/h16-17,19H,6-15H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone?
2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone has a molecular weight of 338.61 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1,2-dicyclohexylethanone is sourced from PubChem (CID 10759483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).