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

C17H32O4Si — CID 11232728

IUPAC(3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one
SMILESCC[C@]1(CO[Si](C)(C)C(C)(C)C)C[C@]2(CC)OC(=O)C[C@@H]2O1
InChIInChI=1S/C17H32O4Si/c1-8-16(12-19-22(6,7)15(3,4)5)11-17(9-2)13(20-16)10-14(18)21-17/h13H,8-12H2,1-7H3/t13-,16+,17-/m0/s1
InChIKeyPRUBZRZNUIXQOY-XKQJLSEDSA-N
MW328.53 g/mol
LogP4.04
Rot. Bonds5

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

(3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one (PubChem CID 11232728) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one.

Molecular Properties

Compound Name(3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one
PubChem CID11232728
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name(3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one
SMILESCC[C@]1(CO[Si](C)(C)C(C)(C)C)C[C@]2(CC)OC(=O)C[C@@H]2O1
InChIInChI=1S/C17H32O4Si/c1-8-16(12-19-22(6,7)15(3,4)5)11-17(9-2)13(20-16)10-14(18)21-17/h13H,8-12H2,1-7H3/t13-,16+,17-/m0/s1
InChIKeyPRUBZRZNUIXQOY-XKQJLSEDSA-N
XLogP4.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one with MolForge

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Related Compounds

ethyl 2-((3aR,6R,6aS)-6-((tert-butyldimethylsilyl)oxy)hexahydrofuro[3,2-b]furan-3-yl)acetate
CID 90042502
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
(5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[12-[(5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxooxolan-3-yl]dodecyl]-5-methyloxolan-2-one
CID 10508209
(2S,3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 10525184
ethyl (2S,3aR,6aS)-2-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate
CID 10715212
(3aS,5S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5,6a-diethyl-3,6-dihydrofuro[3,2-b]furan-2-one
CID 11407727
(1S,5S,11S)-7,7,9,9-tetra(propan-2-yl)-2,6,8,10-tetraoxa-7,9-disilatricyclo[9.3.0.01,5]tetradecan-3-one
CID 11589715
methyl 2-[(3aR,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]acetate
CID 11825638
(1R,2R,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methyl-3,9-dioxabicyclo[4.2.1]nonan-4-one
CID 12112884
ethyl 3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]propanoate
CID 16111173
(3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one
CID 25257312
(3S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one
CID 25257313

Frequently Asked Questions

What is the IUPAC name of (3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one?
The IUPAC name of (3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one (CID 11232728) is (3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one.
What is the SMILES notation for (3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one?
The canonical SMILES for (3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one is CC[C@]1(CO[Si](C)(C)C(C)(C)C)C[C@]2(CC)OC(=O)C[C@@H]2O1.
What is the InChIKey of (3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one?
The InChIKey is PRUBZRZNUIXQOY-XKQJLSEDSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-8-16(12-19-22(6,7)15(3,4)5)11-17(9-2)13(20-16)10-14(18)21-17/h13H,8-12H2,1-7H3/t13-,16+,17-/m0/s1.
What are the key properties of (3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one?
(3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one has a molecular weight of 328.53 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6a-diethyl-3a,6-dihydro-3H-furo[3,2-b]furan-2-one is sourced from PubChem (CID 11232728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).