tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate

C19H37NO3Si — CID 10713224

IUPACtert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate
SMILESCN(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO3Si/c1-18(2,3)22-17(21)15-12-11-14(13-16(15)20(7)8)23-24(9,10)19(4,5)6/h13,15-16H,11-12H2,1-10H3/t15-,16+/m1/s1
InChIKeyKGSJGEFCDXEHQZ-CVEARBPZSA-N
MW355.60 g/mol
LogP4.57
Rot. Bonds4

About tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate

tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate (PubChem CID 10713224) has the molecular formula C19H37NO3Si and a molecular weight of 355.60 g/mol. Its IUPAC name is tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate
PubChem CID10713224
Molecular FormulaC19H37NO3Si
Molecular Weight355.60 g/mol
Exact Mass355.25
IUPAC Nametert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate
SMILESCN(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO3Si/c1-18(2,3)22-17(21)15-12-11-14(13-16(15)20(7)8)23-24(9,10)19(4,5)6/h13,15-16H,11-12H2,1-10H3/t15-,16+/m1/s1
InChIKeyKGSJGEFCDXEHQZ-CVEARBPZSA-N
XLogP4.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.60
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone
CID 134979554
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
methyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,3-dihydroindol-1-yl)cyclohex-3-ene-1-carboxylate
CID 100972470
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
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
(2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine
CID 11232882
tert-butyl 1,3-benzodioxole-2-carboxylate
CID 175730772
4-O-tert-butyl 1-O-phenyl (3S,4R)-3-methylcyclohexene-1,4-dicarboxylate
CID 162773804
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate?
The IUPAC name of tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate (CID 10713224) is tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate?
The canonical SMILES for tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate is CN(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CC[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate?
The InChIKey is KGSJGEFCDXEHQZ-CVEARBPZSA-N. The full InChI is InChI=1S/C19H37NO3Si/c1-18(2,3)22-17(21)15-12-11-14(13-16(15)20(7)8)23-24(9,10)19(4,5)6/h13,15-16H,11-12H2,1-10H3/t15-,16+/m1/s1.
What are the key properties of tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate?
tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate has a molecular weight of 355.60 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 10713224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).