methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate

C17H32O6Si — CID 102422001

IUPACmethyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate
SMILESCOC(=O)C[C@H]1OC[C@H]2OC(C)(C)O[C@@]12CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O6Si/c1-15(2,3)24(7,8)21-11-17-12(9-14(18)19-6)20-10-13(17)22-16(4,5)23-17/h12-13H,9-11H2,1-8H3/t12-,13-,17+/m1/s1
InChIKeyDKQFHQTYZSCQNQ-XNJGSVPQSA-N
MW360.52 g/mol
LogP2.86
Rot. Bonds5

About methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate

methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate (PubChem CID 102422001) has the molecular formula C17H32O6Si and a molecular weight of 360.52 g/mol. Its IUPAC name is methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate
PubChem CID102422001
Molecular FormulaC17H32O6Si
Molecular Weight360.52 g/mol
Exact Mass360.20
IUPAC Namemethyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate
SMILESCOC(=O)C[C@H]1OC[C@H]2OC(C)(C)O[C@@]12CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O6Si/c1-15(2,3)24(7,8)21-11-17-12(9-14(18)19-6)20-10-13(17)22-16(4,5)23-17/h12-13H,9-11H2,1-8H3/t12-,13-,17+/m1/s1
InChIKeyDKQFHQTYZSCQNQ-XNJGSVPQSA-N
XLogP2.86
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate with MolForge

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Related Compounds

(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
methyl (4R,5S)-5-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-triethylsilyloxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11539292
ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2,3a-trimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4-carboxylate
CID 134832334
(5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one
CID 135023102
ethyl 3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 135028246
2,2:5,6-Di-O-isopropylidene-2-C-hydroxymethyl-D-glucono-1,4-lactone
CID 139067157
dimethyl (4R,5R)-2,2-dimethyl-4-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932018
(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 (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 10783807
(3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one
CID 18657608
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 58858620
methyl 2-[(2R,3S,4R)-3,4,5-triacetyloxy-2-[2-[2-[2-tri(propan-2-yl)silyloxyethoxy]ethoxy]ethoxymethyl]oxolan-2-yl]acetate
CID 170548820

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate?
The IUPAC name of methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate (CID 102422001) is methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate.
What is the SMILES notation for methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate?
The canonical SMILES for methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate is COC(=O)C[C@H]1OC[C@H]2OC(C)(C)O[C@@]12CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate?
The InChIKey is DKQFHQTYZSCQNQ-XNJGSVPQSA-N. The full InChI is InChI=1S/C17H32O6Si/c1-15(2,3)24(7,8)21-11-17-12(9-14(18)19-6)20-10-13(17)22-16(4,5)23-17/h12-13H,9-11H2,1-8H3/t12-,13-,17+/m1/s1.
What are the key properties of methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate?
methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate has a molecular weight of 360.52 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3aS,4R,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]acetate is sourced from PubChem (CID 102422001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).