ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate

C15H28O4Si — CID 71724089

IUPACethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H]2C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]21
InChIInChI=1S/C15H28O4Si/c1-7-17-14(16)12-11-8-10(19-13(11)12)9-18-20(5,6)15(2,3)4/h10-13H,7-9H2,1-6H3/t10-,11+,12+,13+/m1/s1
InChIKeyGNGXEAYBNHYNGN-VOAKCMCISA-N
MW300.47 g/mol
LogP2.97
Rot. Bonds5

About ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate

ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 71724089) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Nameethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate
PubChem CID71724089
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Nameethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H]2C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]21
InChIInChI=1S/C15H28O4Si/c1-7-17-14(16)12-11-8-10(19-13(11)12)9-18-20(5,6)15(2,3)4/h10-13H,7-9H2,1-6H3/t10-,11+,12+,13+/m1/s1
InChIKeyGNGXEAYBNHYNGN-VOAKCMCISA-N
XLogP2.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-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

(1R,2R,4R,5S,6R)-5-[ditert-butyl(fluoro)silyl]oxy-4-(hydroxymethyl)-3,7-dioxatricyclo[4.3.0.02,9]nonan-8-one
CID 101242534
(5S)-5-[(2R,5R,6S)-5-ethyl-6-methyl-5-triethylsilyloxyoxan-2-yl]-5-methyloxolan-2-one
CID 11013732
(1S,2R,6R,7R,9R)-12,12-ditert-butyl-3,8,11,13-tetraoxa-12-silatetracyclo[7.4.0.02,6.05,7]tridecan-4-one
CID 101242532
(1R,2R,4S,5S,6R,9R)-5-[ditert-butyl(fluoro)silyl]oxy-4-(iodomethyl)-3,7-dioxatricyclo[4.3.0.02,9]nonan-8-one
CID 11305611
(1R,2R,4R,5S,6R,9R)-5-[ditert-butyl(fluoro)silyl]oxy-4-(hydroxymethyl)-3,7-dioxatricyclo[4.3.0.02,9]nonan-8-one
CID 11382416
[(1R,2R,4R,5S,6R)-5-[ditert-butyl(fluoro)silyl]oxy-8-oxo-3,7-dioxatricyclo[4.3.0.02,9]nonan-4-yl]methyl acetate
CID 101255573
(1R,2R,4R,5S,6R)-5-[ditert-butyl(fluoro)silyl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-3,7-dioxatricyclo[4.3.0.02,9]nonan-8-one
CID 101270025
6-O-ethyl 3-O-methyl (1S,3R,5S,6S)-2-oxabicyclo[3.1.0]hexane-3,6-dicarboxylate
CID 101378284
[4-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate
CID 59917219
ethyl 2-((3aR,6R,6aS)-6-((tert-butyldimethylsilyl)oxy)hexahydrofuro[3,2-b]furan-3-yl)acetate
CID 90042502
[2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate
CID 123539821
ethyl 2-[(3aR,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate
CID 173796284

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate (CID 71724089) is ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate is CCOC(=O)[C@H]1[C@@H]2C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]21.
What is the InChIKey of ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is GNGXEAYBNHYNGN-VOAKCMCISA-N. The full InChI is InChI=1S/C15H28O4Si/c1-7-17-14(16)12-11-8-10(19-13(11)12)9-18-20(5,6)15(2,3)4/h10-13H,7-9H2,1-6H3/t10-,11+,12+,13+/m1/s1.
What are the key properties of ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate?
ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 300.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxabicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 71724089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).