ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate

C19H38O4Si — CID 71479760

IUPACethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](C)[C@@H](O)[C@@H](C)C[C@@]1(C)CO[Si](CC)(CC)CC
InChIInChI=1S/C19H38O4Si/c1-8-22-18(21)16-15(6)17(20)14(5)12-19(16,7)13-23-24(9-2,10-3)11-4/h14-17,20H,8-13H2,1-7H3/t14-,15+,16-,17-,19-/m0/s1
InChIKeyDSEPOSDJIZBQKX-OREBXVKISA-N
MW358.60 g/mol
LogP4.23
Rot. Bonds8

About ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate

ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate (PubChem CID 71479760) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate
PubChem CID71479760
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Nameethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](C)[C@@H](O)[C@@H](C)C[C@@]1(C)CO[Si](CC)(CC)CC
InChIInChI=1S/C19H38O4Si/c1-8-22-18(21)16-15(6)17(20)14(5)12-19(16,7)13-23-24(9-2,10-3)11-4/h14-17,20H,8-13H2,1-7H3/t14-,15+,16-,17-,19-/m0/s1
InChIKeyDSEPOSDJIZBQKX-OREBXVKISA-N
XLogP4.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
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cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate
CID 102020755
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
CID 67102506
4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid
CID 129278711
tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278282
diethyl (1R,2S,3S,4S)-4-hydroxy-2,4-dimethyl-6-oxocyclohexane-1,3-dicarboxylate
CID 7367228
ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate
CID 43811021
cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate
CID 54441398
diethyl 3,4-dimethylcyclobutane-1,2-dicarboxylate
CID 121013896
trans-ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 719276
trans-ethyl (1R,3R)-3-[(2R)-3,3-dimethyloxiran-2-yl]-2,2-dimethylcyclopropane-1-carboxylate
CID 134865011

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate (CID 71479760) is ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate is CCOC(=O)[C@@H]1[C@@H](C)[C@@H](O)[C@@H](C)C[C@@]1(C)CO[Si](CC)(CC)CC.
What is the InChIKey of ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate?
The InChIKey is DSEPOSDJIZBQKX-OREBXVKISA-N. The full InChI is InChI=1S/C19H38O4Si/c1-8-22-18(21)16-15(6)17(20)14(5)12-19(16,7)13-23-24(9-2,10-3)11-4/h14-17,20H,8-13H2,1-7H3/t14-,15+,16-,17-,19-/m0/s1.
What are the key properties of ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate?
ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate has a molecular weight of 358.60 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-2-(triethylsilyloxymethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 71479760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).