ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate

C16H32O4Si — CID 44513305

IUPACethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1C
InChIInChI=1S/C16H32O4Si/c1-8-18-15(17)10-14-12(2)9-13(20-14)11-19-21(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/t12-,13-,14+/m1/s1
InChIKeyBFRGCYPSXMSPRB-MCIONIFRSA-N
MW316.51 g/mol
LogP3.76
Rot. Bonds6

About ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate

ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate (PubChem CID 44513305) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate
PubChem CID44513305
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Nameethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1C
InChIInChI=1S/C16H32O4Si/c1-8-18-15(17)10-14-12(2)9-13(20-14)11-19-21(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/t12-,13-,14+/m1/s1
InChIKeyBFRGCYPSXMSPRB-MCIONIFRSA-N
XLogP3.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate (CID 44513305) is ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate is CCOC(=O)C[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1C.
What is the InChIKey of ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate?
The InChIKey is BFRGCYPSXMSPRB-MCIONIFRSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-8-18-15(17)10-14-12(2)9-13(20-14)11-19-21(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/t12-,13-,14+/m1/s1.
What are the key properties of ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate?
ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate has a molecular weight of 316.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]acetate is sourced from PubChem (CID 44513305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).