ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate

C20H36O4Si — CID 10339053

IUPACethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
SMILESCCOC(=O)C1CC=CC2C[C@H](CO)C[C@H](O[Si](C)(C)C(C)(C)C)C21
InChIInChI=1S/C20H36O4Si/c1-7-23-19(22)16-10-8-9-15-11-14(13-21)12-17(18(15)16)24-25(5,6)20(2,3)4/h8-9,14-18,21H,7,10-13H2,1-6H3/t14-,15?,16?,17-,18?/m0/s1
InChIKeyFYIPQLLTQDOKRI-ZCQRAXNASA-N
MW368.59 g/mol
LogP4.15
Rot. Bonds5

About ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate

ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate (PubChem CID 10339053) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
PubChem CID10339053
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Nameethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
SMILESCCOC(=O)C1CC=CC2C[C@H](CO)C[C@H](O[Si](C)(C)C(C)(C)C)C21
InChIInChI=1S/C20H36O4Si/c1-7-23-19(22)16-10-8-9-15-11-14(13-21)12-17(18(15)16)24-25(5,6)20(2,3)4/h8-9,14-18,21H,7,10-13H2,1-6H3/t14-,15?,16?,17-,18?/m0/s1
InChIKeyFYIPQLLTQDOKRI-ZCQRAXNASA-N
XLogP4.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.15
H-Bond Donors ≤ 51
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 (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 59619451
ethyl (1S,2S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-[(4-methylphenyl)sulfonyloxymethyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
CID 10482319
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
CID 91256092
ethyl (1S,2S,4aR,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-2,6-dimethyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalene-1-carboxylate
CID 57285152
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
ethyl 3-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohepta-2,4-dien-1-yl]propanoate
CID 11005096
2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethanol
CID 59317318
3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate
CID 158231252
ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
CID 23248578
(1R,2R,6R)-6-ethoxycarbonyl-2-methylcyclohex-3-ene-1-carboxylic acid
CID 144904032
ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate
CID 163278309

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate?
The IUPAC name of ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate (CID 10339053) is ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate.
What is the SMILES notation for ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate?
The canonical SMILES for ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate is CCOC(=O)C1CC=CC2C[C@H](CO)C[C@H](O[Si](C)(C)C(C)(C)C)C21.
What is the InChIKey of ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate?
The InChIKey is FYIPQLLTQDOKRI-ZCQRAXNASA-N. The full InChI is InChI=1S/C20H36O4Si/c1-7-23-19(22)16-10-8-9-15-11-14(13-21)12-17(18(15)16)24-25(5,6)20(2,3)4/h8-9,14-18,21H,7,10-13H2,1-6H3/t14-,15?,16?,17-,18?/m0/s1.
What are the key properties of ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate?
ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate has a molecular weight of 368.59 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate is sourced from PubChem (CID 10339053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).