(3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one

C15H28O5Si — CID 101202646

IUPAC(3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one
SMILESCC[C@@]12OC(=O)C[C@]1(CO[Si](C)(C)C(C)(C)C)OC[C@H]2O
InChIInChI=1S/C15H28O5Si/c1-7-15-11(16)9-18-14(15,8-12(17)20-15)10-19-21(5,6)13(2,3)4/h11,16H,7-10H2,1-6H3/t11-,14-,15+/m1/s1
InChIKeyFBGBTDHWHLJLRO-DFBGVHRSSA-N
MW316.47 g/mol
LogP2.23
Rot. Bonds4

About (3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one

(3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one (PubChem CID 101202646) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is (3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name(3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one
PubChem CID101202646
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name(3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one
SMILESCC[C@@]12OC(=O)C[C@]1(CO[Si](C)(C)C(C)(C)C)OC[C@H]2O
InChIInChI=1S/C15H28O5Si/c1-7-15-11(16)9-18-14(15,8-12(17)20-15)10-19-21(5,6)13(2,3)4/h11,16H,7-10H2,1-6H3/t11-,14-,15+/m1/s1
InChIKeyFBGBTDHWHLJLRO-DFBGVHRSSA-N
XLogP2.23
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one 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 (3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of (3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one (CID 101202646) is (3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for (3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for (3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one is CC[C@@]12OC(=O)C[C@]1(CO[Si](C)(C)C(C)(C)C)OC[C@H]2O.
What is the InChIKey of (3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is FBGBTDHWHLJLRO-DFBGVHRSSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-7-15-11(16)9-18-14(15,8-12(17)20-15)10-19-21(5,6)13(2,3)4/h11,16H,7-10H2,1-6H3/t11-,14-,15+/m1/s1.
What are the key properties of (3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one?
(3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 316.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a-ethyl-3-hydroxy-3,6-dihydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 101202646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).