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

C18H32O6Si — CID 155934539

IUPAC(3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
SMILESCC1(C[C@]23OC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2CC(=O)O3)OCCO1
InChIInChI=1S/C18H32O6Si/c1-16(2,3)25(5,6)23-11-13-10-22-18(14(13)9-15(19)24-18)12-17(4)20-7-8-21-17/h13-14H,7-12H2,1-6H3/t13-,14-,18-/m1/s1
InChIKeyVJYJWUKTKRCRMW-HBUWYVDXSA-N
MW372.53 g/mol
LogP3.07
Rot. Bonds5

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

(3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one (PubChem CID 155934539) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is (3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one.

Molecular Properties

Compound Name(3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
PubChem CID155934539
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Name(3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
SMILESCC1(C[C@]23OC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2CC(=O)O3)OCCO1
InChIInChI=1S/C18H32O6Si/c1-16(2,3)25(5,6)23-11-13-10-22-18(14(13)9-15(19)24-18)12-17(4)20-7-8-21-17/h13-14H,7-12H2,1-6H3/t13-,14-,18-/m1/s1
InChIKeyVJYJWUKTKRCRMW-HBUWYVDXSA-N
XLogP3.07
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

(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
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
methyl 2-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-trimethylsilyloxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-2-ethylbutanoate
CID 10994192
(3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one
CID 11109889
(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

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one?
The IUPAC name of (3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one (CID 155934539) is (3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one.
What is the SMILES notation for (3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one?
The canonical SMILES for (3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one is CC1(C[C@]23OC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2CC(=O)O3)OCCO1.
What is the InChIKey of (3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one?
The InChIKey is VJYJWUKTKRCRMW-HBUWYVDXSA-N. The full InChI is InChI=1S/C18H32O6Si/c1-16(2,3)25(5,6)23-11-13-10-22-18(14(13)9-15(19)24-18)12-17(4)20-7-8-21-17/h13-14H,7-12H2,1-6H3/t13-,14-,18-/m1/s1.
What are the key properties of (3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one?
(3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one has a molecular weight of 372.53 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one is sourced from PubChem (CID 155934539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).