ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate

C19H34O4Si — CID 134953400

IUPACethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C(C)C)(C(C)C)C(C)C)=CC[C@H]1C=O
InChIInChI=1S/C19H34O4Si/c1-8-22-19(21)18-11-17(10-9-16(18)12-20)23-24(13(2)3,14(4)5)15(6)7/h10,12-16,18H,8-9,11H2,1-7H3/t16-,18+/m0/s1
InChIKeyONEZBTHSUSMOSO-FUHWJXTLSA-N
MW354.56 g/mol
LogP4.85
Rot. Bonds8

About ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate

ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate (PubChem CID 134953400) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate
PubChem CID134953400
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Nameethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C(C)C)(C(C)C)C(C)C)=CC[C@H]1C=O
InChIInChI=1S/C19H34O4Si/c1-8-22-19(21)18-11-17(10-9-16(18)12-20)23-24(13(2)3,14(4)5)15(6)7/h10,12-16,18H,8-9,11H2,1-7H3/t16-,18+/m0/s1
InChIKeyONEZBTHSUSMOSO-FUHWJXTLSA-N
XLogP4.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.85
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'}

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Related Compounds

dimethyl (1R,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 12031285
methyl (1R,6R)-6-acetyl-3-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate
CID 54672210
(1s,2s)-4-Cyclohexen-1,2-dicarboxylic acid bis-(2-trimethylsilyl)-ethylester
CID 129732884
2-O-tert-butyl 1-O-methyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 134903380
1-O-tert-butyl 2-O-ethyl (1R,2S)-1-formyl-5-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 134979346
2-O-ethyl 1-O-propan-2-yl (1R,2S)-1-formyl-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 134979665
dimethyl (1S,2S)-4-triethylsilylcyclohex-4-ene-1,2-dicarboxylate
CID 134980047
tert-butyl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134980145
2-O-ethyl 1-O-propan-2-yl (1R,2S)-1-formyl-5-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 134980411
diethyl (1S,2S)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 134980433
1-O-tert-butyl 2-O-ethyl (1R,2S)-1-formyl-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 134980644
diethyl (1S,2R)-4-trimethylsilyloxycyclohex-4-ene-1,2-dicarboxylate
CID 134980837

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate (CID 134953400) is ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate is CCOC(=O)[C@@H]1CC(O[Si](C(C)C)(C(C)C)C(C)C)=CC[C@H]1C=O.
What is the InChIKey of ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is ONEZBTHSUSMOSO-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-8-22-19(21)18-11-17(10-9-16(18)12-20)23-24(13(2)3,14(4)5)15(6)7/h10,12-16,18H,8-9,11H2,1-7H3/t16-,18+/m0/s1.
What are the key properties of ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate?
ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 354.56 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 134953400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).