1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone

C16H30O6Si — CID 59269850

IUPAC1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone
SMILESCO[C@@H]1C2OC(C)(C)O[C@@H]2O[C@@H]1C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O6Si/c1-15(2,3)23(7,8)19-9-10(17)11-12(18-6)13-14(20-11)22-16(4,5)21-13/h11-14H,9H2,1-8H3/t11-,12+,13?,14+/m1/s1
InChIKeyJQHBRQNVBLEVPU-UDRMKVCMSA-N
MW346.50 g/mol
LogP2.47
Rot. Bonds5

About 1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone

1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone (PubChem CID 59269850) has the molecular formula C16H30O6Si and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone.

Molecular Properties

Compound Name1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone
PubChem CID59269850
Molecular FormulaC16H30O6Si
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone
SMILESCO[C@@H]1C2OC(C)(C)O[C@@H]2O[C@@H]1C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O6Si/c1-15(2,3)23(7,8)19-9-10(17)11-12(18-6)13-14(20-11)22-16(4,5)21-13/h11-14H,9H2,1-8H3/t11-,12+,13?,14+/m1/s1
InChIKeyJQHBRQNVBLEVPU-UDRMKVCMSA-N
XLogP2.47
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone with MolForge

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Related Compounds

(3aR,6R,6aR)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyl-tetrahydro-2H-furo(3,4-d)(1,3)dioxol-4-one
CID 10913693
(3aR,5R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 10086294
(3aR,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 11174537
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 13832446
5-O-tert-Butyldimethylsilyl-2,3-O-isopropylidene-L-lyxono-1,4-lactone
CID 102602656
(1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 10958487
(3AS,4S,6R,6aS)-6-((tert-butyldimethylsilyl)oxy)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 14561358
(3aR,5S,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 14919813
(3aS,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 134922821
CID 178270438
CID 178270438
2,3,4-Trioxycyclopentanone
CID 443746
Jzcregkgyhhjcl-xjfoesagsa-
CID 14261491

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone?
The IUPAC name of 1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone (CID 59269850) is 1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone.
What is the SMILES notation for 1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone?
The canonical SMILES for 1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone is CO[C@@H]1C2OC(C)(C)O[C@@H]2O[C@@H]1C(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone?
The InChIKey is JQHBRQNVBLEVPU-UDRMKVCMSA-N. The full InChI is InChI=1S/C16H30O6Si/c1-15(2,3)23(7,8)19-9-10(17)11-12(18-6)13-14(20-11)22-16(4,5)21-13/h11-14H,9H2,1-8H3/t11-,12+,13?,14+/m1/s1.
What are the key properties of 1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone?
1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone has a molecular weight of 346.50 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,5S,6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanone is sourced from PubChem (CID 59269850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).