methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate

C19H33NO4Si — CID 101073438

IUPACmethyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CC[C@@]1(C)C=O
InChIInChI=1S/C19H33NO4Si/c1-9-12-20(17(22)23-6)16-13-15(10-11-19(16,5)14-21)24-25(7,8)18(2,3)4/h9,13-14,16H,1,10-12H2,2-8H3/t16-,19-/m0/s1
InChIKeyIEZSRTPROKDEOG-LPHOPBHVSA-N
MW367.56 g/mol
LogP4.51
Rot. Bonds6

About methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate

methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate (PubChem CID 101073438) has the molecular formula C19H33NO4Si and a molecular weight of 367.56 g/mol. Its IUPAC name is methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namemethyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate
PubChem CID101073438
Molecular FormulaC19H33NO4Si
Molecular Weight367.56 g/mol
Exact Mass367.22
IUPAC Namemethyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CC[C@@]1(C)C=O
InChIInChI=1S/C19H33NO4Si/c1-9-12-20(17(22)23-6)16-13-15(10-11-19(16,5)14-21)24-25(7,8)18(2,3)4/h9,13-14,16H,1,10-12H2,2-8H3/t16-,19-/m0/s1
InChIKeyIEZSRTPROKDEOG-LPHOPBHVSA-N
XLogP4.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(3aR,4S,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-3a-formyl-1,2,3,4,7,7a-hexahydroinden-4-yl]-N-prop-2-enylcarbamate
CID 102054393
methyl N-benzyl-N-[(1R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-(3-trimethylsilylprop-2-ynyl)cyclohex-2-en-1-yl]carbamate
CID 44541526
methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate
CID 11324801
2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol
CID 135044795
methyl (1S,2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-6-methylcyclohex-3-ene-1-carboxylate
CID 10544219
dimethyl (1S,2S,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)cyclohex-4-ene-1,2-dicarboxylate
CID 10737995
1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone
CID 134979554
methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate
CID 11120045
S-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] ethanethioate
CID 15414680
tert-butyl-dimethyl-(2-oxaspiro[3.5]non-6-en-7-yloxy)silane
CID 174035895
[3-[tert-butyl(dimethyl)silyl]oxycyclohepten-1-yl] prop-2-enyl carbonate
CID 117070940
ethyl 2-[(1R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]acetate
CID 24764392

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate?
The IUPAC name of methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate (CID 101073438) is methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate is C=CCN(C(=O)OC)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CC[C@@]1(C)C=O.
What is the InChIKey of methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate?
The InChIKey is IEZSRTPROKDEOG-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H33NO4Si/c1-9-12-20(17(22)23-6)16-13-15(10-11-19(16,5)14-21)24-25(7,8)18(2,3)4/h9,13-14,16H,1,10-12H2,2-8H3/t16-,19-/m0/s1.
What are the key properties of methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate?
methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate has a molecular weight of 367.56 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 101073438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).