methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate

C27H36O6Si — CID 14380430

IUPACmethyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
SMILESCOC(=O)C[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H36O6Si/c1-26(2,3)34(19-13-9-7-10-14-19,20-15-11-8-12-16-20)30-18-22-21(17-23(28)29-6)24-25(31-22)33-27(4,5)32-24/h7-16,21-22,24-25H,17-18H2,1-6H3/t21-,22+,24-,25-/m0/s1
InChIKeyDXEIAZLUZLVGGT-VRUIKYSZSA-N
MW484.67 g/mol
LogP3.62
Rot. Bonds7

About methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate

methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate (PubChem CID 14380430) has the molecular formula C27H36O6Si and a molecular weight of 484.67 g/mol. Its IUPAC name is methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
PubChem CID14380430
Molecular FormulaC27H36O6Si
Molecular Weight484.67 g/mol
Exact Mass484.23
IUPAC Namemethyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
SMILESCOC(=O)C[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H36O6Si/c1-26(2,3)34(19-13-9-7-10-14-19,20-15-11-8-12-16-20)30-18-22-21(17-23(28)29-6)24-25(31-22)33-27(4,5)32-24/h7-16,21-22,24-25H,17-18H2,1-6H3/t21-,22+,24-,25-/m0/s1
InChIKeyDXEIAZLUZLVGGT-VRUIKYSZSA-N
XLogP3.62
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate with MolForge

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Related Compounds

(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one
CID 11036001
(3AR,6R,6aR)-6-(((tert-butyldiphenylsilyl)oxy)methyl)-2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one
CID 10862839
(3aR,5R,6aS)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)-2,2-dimethyldihydrofuro[2,3-d][1,3]dioxol-6(3aH)-one
CID 11004448
[(3aR,5R,6S,6aR)-5-(1-fluoroprop-2-enyl)-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 59483207
Tert-butyl-[[6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy]-diphenylsilane
CID 123786575
[2-Acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate
CID 123862156
[(3aR,5S,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 140772722
[(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate
CID 140772737
[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate
CID 141463019
[(3aR,6R,6aR)-6-(fluoromethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 173670682
d-Ribonic acid, 5-O-[(1,1-dimethylethyl)diphenylsilyl]-2,3-O-(1-methylethylidene)-, gamma-lactone
CID 617893
[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl] acetate
CID 10620908

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate?
The IUPAC name of methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate (CID 14380430) is methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate.
What is the SMILES notation for methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate?
The canonical SMILES for methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate is COC(=O)C[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate?
The InChIKey is DXEIAZLUZLVGGT-VRUIKYSZSA-N. The full InChI is InChI=1S/C27H36O6Si/c1-26(2,3)34(19-13-9-7-10-14-19,20-15-11-8-12-16-20)30-18-22-21(17-23(28)29-6)24-25(31-22)33-27(4,5)32-24/h7-16,21-22,24-25H,17-18H2,1-6H3/t21-,22+,24-,25-/m0/s1.
What are the key properties of methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate?
methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate has a molecular weight of 484.67 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3aS,5S,6S,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate is sourced from PubChem (CID 14380430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).