ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate

C16H30O5Si — CID 90042502

IUPACethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate
SMILESCCOC(=O)CC1CO[C@H]2[C@@H]1OC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O5Si/c1-7-18-13(17)8-11-9-19-15-12(10-20-14(11)15)21-22(5,6)16(2,3)4/h11-12,14-15H,7-10H2,1-6H3/t11?,12-,14-,15-/m1/s1
InChIKeyFEBGHADQBPWTAF-ZJPTYJIISA-N
MW330.50 g/mol
LogP2.74
Rot. Bonds5

About ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate

ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate (PubChem CID 90042502) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate
PubChem CID90042502
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Nameethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate
SMILESCCOC(=O)CC1CO[C@H]2[C@@H]1OC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O5Si/c1-7-18-13(17)8-11-9-19-15-12(10-20-14(11)15)21-22(5,6)16(2,3)4/h11-12,14-15H,7-10H2,1-6H3/t11?,12-,14-,15-/m1/s1
InChIKeyFEBGHADQBPWTAF-ZJPTYJIISA-N
XLogP2.74
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-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-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate?
The IUPAC name of ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate (CID 90042502) is ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate?
The canonical SMILES for ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate is CCOC(=O)CC1CO[C@H]2[C@@H]1OC[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate?
The InChIKey is FEBGHADQBPWTAF-ZJPTYJIISA-N. The full InChI is InChI=1S/C16H30O5Si/c1-7-18-13(17)8-11-9-19-15-12(10-20-14(11)15)21-22(5,6)16(2,3)4/h11-12,14-15H,7-10H2,1-6H3/t11?,12-,14-,15-/m1/s1.
What are the key properties of ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate?
ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate has a molecular weight of 330.50 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate is sourced from PubChem (CID 90042502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).