(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one

C15H30O2Si — CID 11173281

IUPAC(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one
SMILESCC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C)C1=O
InChIInChI=1S/C15H30O2Si/c1-8-12-10-13(9-11(2)14(12)16)17-18(6,7)15(3,4)5/h11-13H,8-10H2,1-7H3/t11-,12+,13-/m0/s1
InChIKeyRNKYGPVQNXXGRX-XQQFMLRXSA-N
MW270.49 g/mol
LogP4.40
Rot. Bonds3

About (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one

(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one (PubChem CID 11173281) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one
PubChem CID11173281
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one
SMILESCC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C)C1=O
InChIInChI=1S/C15H30O2Si/c1-8-12-10-13(9-11(2)14(12)16)17-18(6,7)15(3,4)5/h11-13H,8-10H2,1-7H3/t11-,12+,13-/m0/s1
InChIKeyRNKYGPVQNXXGRX-XQQFMLRXSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.40
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

(4r,6s)-4-(t-Butyldimethylsiloxy)-2,2,6-trimethylcyclohexanone
CID 10945529
(4R,6R)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2,2,6-trimethyl-cyclohexanone
CID 14584997
3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
CID 134878101
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one
CID 154722427
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylcyclohexan-1-one
CID 11807310
4-(Tert-butyldimethylsilyloxy)-2,2,6-trimethyl cyclohexan-1-one
CID 14584996
trans-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylcyclohexan-1-one
CID 11097207
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
8-[Tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 72824520
2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde
CID 101178619

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one?
The IUPAC name of (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one (CID 11173281) is (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one.
What is the SMILES notation for (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one?
The canonical SMILES for (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one is CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C)C1=O.
What is the InChIKey of (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one?
The InChIKey is RNKYGPVQNXXGRX-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-12-10-13(9-11(2)14(12)16)17-18(6,7)15(3,4)5/h11-13H,8-10H2,1-7H3/t11-,12+,13-/m0/s1.
What are the key properties of (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one?
(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one has a molecular weight of 270.49 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one is sourced from PubChem (CID 11173281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).