ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate

C19H32O4Si — CID 102275965

IUPACethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate
SMILESCCOC(=O)[C@@H]1C=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]12CCCC2=O
InChIInChI=1S/C19H32O4Si/c1-7-22-17(21)14-10-8-12-16(19(14)13-9-11-15(19)20)23-24(5,6)18(2,3)4/h8,10,14,16H,7,9,11-13H2,1-6H3/t14-,16+,19-/m0/s1
InChIKeyAWKISJFAYKUEMA-GMBSWORKSA-N
MW352.55 g/mol
LogP4.26
Rot. Bonds4

About ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate

ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate (PubChem CID 102275965) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate.

Molecular Properties

Compound Nameethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate
PubChem CID102275965
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Nameethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate
SMILESCCOC(=O)[C@@H]1C=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]12CCCC2=O
InChIInChI=1S/C19H32O4Si/c1-7-22-17(21)14-10-8-12-16(19(14)13-9-11-15(19)20)23-24(5,6)18(2,3)4/h8,10,14,16H,7,9,11-13H2,1-6H3/t14-,16+,19-/m0/s1
InChIKeyAWKISJFAYKUEMA-GMBSWORKSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate with MolForge

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Related Compounds

methyl 7-[(1R,2R,3R)-2-[(E)-4-methyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
CID 10940779
methyl 4-hydroxy-4-[(1S,5R)-2-oxo-5-[(E)-4-tri(propan-2-yl)silyloxybut-1-enyl]cyclopentyl]butanoate
CID 10993625
(5R,6R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methylspiro[4.5]dec-7-en-4-one
CID 11645038
(5R,6R,9R,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
CID 25022823
(5S,6S,9S,10S)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]dec-7-en-4-one
CID 44516379
methyl (Z)-10-[tert-butyl(dimethyl)silyl]oxy-3-oxo-6-propan-2-yldec-7-enoate
CID 134833524
[(4R,6R,9R)-6-acetyl-9-methyl-8-oxo-10-tri(propan-2-yl)silyloxydec-1-en-4-yl] 2,2-dimethylpropanoate
CID 134848352
methyl (E)-7-[(1R,2R,3R)-2-[(E)-4-methyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]hept-4-enoate
CID 134902434
methyl 5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3-oxopentanoate
CID 134918902
methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
CID 134922413
methyl 7-[(2S,3S)-2-(3-methylbut-2-enyl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
CID 134922459
methyl (Z)-7-[(1R,2R,3R)-2-[(E)-4-methyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]hept-4-enoate
CID 12893768

Frequently Asked Questions

What is the IUPAC name of ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate?
The IUPAC name of ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate (CID 102275965) is ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate.
What is the SMILES notation for ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate?
The canonical SMILES for ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate is CCOC(=O)[C@@H]1C=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]12CCCC2=O.
What is the InChIKey of ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate?
The InChIKey is AWKISJFAYKUEMA-GMBSWORKSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-7-22-17(21)14-10-8-12-16(19(14)13-9-11-15(19)20)23-24(5,6)18(2,3)4/h8,10,14,16H,7,9,11-13H2,1-6H3/t14-,16+,19-/m0/s1.
What are the key properties of ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate?
ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate has a molecular weight of 352.55 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate is sourced from PubChem (CID 102275965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).