1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone

C16H31NO2Si — CID 134979554

IUPAC1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone
SMILESCC(=O)[C@@H]1CCC(O[Si](C)(C)C(C)(C)C)=C[C@H]1N(C)C
InChIInChI=1S/C16H31NO2Si/c1-12(18)14-10-9-13(11-15(14)17(5)6)19-20(7,8)16(2,3)4/h11,14-15H,9-10H2,1-8H3/t14-,15+/m0/s1
InChIKeyRFPQLXCVOCIEGV-LSDHHAIUSA-N
MW297.52 g/mol
LogP3.82
Rot. Bonds4

About 1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone

1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone (PubChem CID 134979554) has the molecular formula C16H31NO2Si and a molecular weight of 297.52 g/mol. Its IUPAC name is 1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone
PubChem CID134979554
Molecular FormulaC16H31NO2Si
Molecular Weight297.52 g/mol
Exact Mass297.21
IUPAC Name1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone
SMILESCC(=O)[C@@H]1CCC(O[Si](C)(C)C(C)(C)C)=C[C@H]1N(C)C
InChIInChI=1S/C16H31NO2Si/c1-12(18)14-10-9-13(11-15(14)17(5)6)19-20(7,8)16(2,3)4/h11,14-15H,9-10H2,1-8H3/t14-,15+/m0/s1
InChIKeyRFPQLXCVOCIEGV-LSDHHAIUSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone with MolForge

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Related Compounds

tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate
CID 10713224
dimethyl (1S,2S,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)cyclohex-4-ene-1,2-dicarboxylate
CID 10737995
methyl (1S,2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-6-methylcyclohex-3-ene-1-carboxylate
CID 10544219
S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate
CID 15414680
N-[(E)-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]methylideneamino]-N-methylmethanamine
CID 10801884
methyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3-dihydroindol-1-yl)cyclohex-3-ene-1-carboxylate
CID 100972470
ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate
CID 24764392
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate
CID 10380829
methyl (2S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-10-oxo-9-oxatricyclo[6.2.2.02,7]dodeca-3,11-diene-1-carboxylate
CID 162415230
S-tert-butyl (2R)-2-[(1R)-3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]-5-methylhex-4-enethioate
CID 11258394
(2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine
CID 11232882
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone?
The IUPAC name of 1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone (CID 134979554) is 1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone?
The canonical SMILES for 1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone is CC(=O)[C@@H]1CCC(O[Si](C)(C)C(C)(C)C)=C[C@H]1N(C)C.
What is the InChIKey of 1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone?
The InChIKey is RFPQLXCVOCIEGV-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H31NO2Si/c1-12(18)14-10-9-13(11-15(14)17(5)6)19-20(7,8)16(2,3)4/h11,14-15H,9-10H2,1-8H3/t14-,15+/m0/s1.
What are the key properties of 1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone?
1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone has a molecular weight of 297.52 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone is sourced from PubChem (CID 134979554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).