(2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one

C15H28O4Si — CID 155934217

IUPAC(2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H]2CC(=O)O[C@]2(C)O1
InChIInChI=1S/C15H28O4Si/c1-10(19-20(6,7)14(2,3)4)12-8-11-9-13(16)18-15(11,5)17-12/h10-12H,8-9H2,1-7H3/t10-,11+,12+,15-/m0/s1
InChIKeyMRKSZDFCHPVABH-YFCNSXCBSA-N
MW300.47 g/mol
LogP3.46
Rot. Bonds3

About (2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one

(2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one (PubChem CID 155934217) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one.

Molecular Properties

Compound Name(2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
PubChem CID155934217
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H]2CC(=O)O[C@]2(C)O1
InChIInChI=1S/C15H28O4Si/c1-10(19-20(6,7)14(2,3)4)12-8-11-9-13(16)18-15(11,5)17-12/h10-12H,8-9H2,1-7H3/t10-,11+,12+,15-/m0/s1
InChIKeyMRKSZDFCHPVABH-YFCNSXCBSA-N
XLogP3.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-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

Related Compounds

(4S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 101045025
(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 25213394
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
(2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid
CID 10517488
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
CID 134892692
6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
CID 138967150
[(1Z)-1-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]hexa-1,5-dien-3-yl] prop-2-enoate
CID 102395641
(2R)-2-[(E)-3-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-2,3-dihydropyran-6-one
CID 70676018
(3R,3aR,6R,7aS)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(2S)-2,4,4-trimethyl-1,3-dioxolan-2-yl]-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 101114509
2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 70675864
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanal
CID 135665356
(5R)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
CID 11624065

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one?
The IUPAC name of (2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one (CID 155934217) is (2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one.
What is the SMILES notation for (2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one?
The canonical SMILES for (2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one is C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H]2CC(=O)O[C@]2(C)O1.
What is the InChIKey of (2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one?
The InChIKey is MRKSZDFCHPVABH-YFCNSXCBSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-10(19-20(6,7)14(2,3)4)12-8-11-9-13(16)18-15(11,5)17-12/h10-12H,8-9H2,1-7H3/t10-,11+,12+,15-/m0/s1.
What are the key properties of (2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one?
(2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one has a molecular weight of 300.47 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one is sourced from PubChem (CID 155934217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).