ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate

C19H36O4Si — CID 15678446

IUPACethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate
SMILESCCCCOC1CC(C(=O)OCC)C2(O[Si](C)(C)C)CCCCC12
InChIInChI=1S/C19H36O4Si/c1-6-8-13-22-17-14-16(18(20)21-7-2)19(23-24(3,4)5)12-10-9-11-15(17)19/h15-17H,6-14H2,1-5H3
InChIKeyYSSNZEBFIGEYHM-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.54
Rot. Bonds8

About ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate

ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate (PubChem CID 15678446) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate
PubChem CID15678446
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Nameethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate
SMILESCCCCOC1CC(C(=O)OCC)C2(O[Si](C)(C)C)CCCCC12
InChIInChI=1S/C19H36O4Si/c1-6-8-13-22-17-14-16(18(20)21-7-2)19(23-24(3,4)5)12-10-9-11-15(17)19/h15-17H,6-14H2,1-5H3
InChIKeyYSSNZEBFIGEYHM-UHFFFAOYSA-N
XLogP4.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate with MolForge

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Related Compounds

[(1R,2R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl] acetate
CID 10982477
butan-2-yl (2R,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate
CID 10428250
ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate
CID 10575965
[(1R,2R,3aR,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl] acetate
CID 10993295
ethyl (1S,3aR,4R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,7,7,7a-tetramethylspiro[3,4,5,6-tetrahydro-1H-indene-2,2'-oxirane]-1-carboxylate
CID 11177356
[(1S,3S,3aS,7aS)-3-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-6-oxo-2,3,4,5,7,7a-hexahydro-1H-inden-1-yl] 2,2-dimethylpropanoate
CID 11567142
[(1R,3S,3aS,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-6-oxo-2,3,4,5,7,7a-hexahydro-1H-inden-1-yl] 2,2-dimethylpropanoate
CID 11574503
ethyl 3-butoxy-8a-trimethylsilyloxy-2,3,3a,4,5,6,7,8-octahydro-1H-azulene-1-carboxylate
CID 15678447
(4aS,5S,7R,7aR)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
CID 25138573
ethyl (1S,2S,2aR,2bS,6aR,7aS)-1-methyl-1-trimethylsilyloxy-2,2a,2b,3,4,5,6,6a,7,7a-decahydrocyclobuta[a]indene-2-carboxylate
CID 101402680
ethyl (1R,2R,2aS,2bS,6aR,7aR)-1-methyl-1-trimethylsilyloxy-2,2a,2b,3,4,5,6,6a,7,7a-decahydrocyclobuta[a]indene-2-carboxylate
CID 101402681
Ethyl 3-butoxy-7a-[tert-butyl(dimethyl)silyl]oxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate
CID 101428154

Frequently Asked Questions

What is the IUPAC name of ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate?
The IUPAC name of ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate (CID 15678446) is ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate.
What is the SMILES notation for ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate?
The canonical SMILES for ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate is CCCCOC1CC(C(=O)OCC)C2(O[Si](C)(C)C)CCCCC12.
What is the InChIKey of ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate?
The InChIKey is YSSNZEBFIGEYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-6-8-13-22-17-14-16(18(20)21-7-2)19(23-24(3,4)5)12-10-9-11-15(17)19/h15-17H,6-14H2,1-5H3.
What are the key properties of ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate?
ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate has a molecular weight of 356.58 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-butoxy-7a-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylate is sourced from PubChem (CID 15678446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).