[(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate

C18H32O8Si — CID 134831855

IUPAC[(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate
SMILESCC[Si](C)(CC)OC[C@H]1OC(C)[C@@H](OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C18H32O8Si/c1-8-27(7,9-2)22-10-15-17(25-13(5)20)18(26-14(6)21)16(11(3)23-15)24-12(4)19/h11,15-18H,8-10H2,1-7H3/t11?,15-,16-,17?,18?/m1/s1
InChIKeyQBUFOAYSKGSITK-JPTZAXLBSA-N
MW404.53 g/mol
LogP2.20
Rot. Bonds8

About [(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate

[(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate (PubChem CID 134831855) has the molecular formula C18H32O8Si and a molecular weight of 404.53 g/mol. Its IUPAC name is [(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate
PubChem CID134831855
Molecular FormulaC18H32O8Si
Molecular Weight404.53 g/mol
Exact Mass404.19
IUPAC Name[(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate
SMILESCC[Si](C)(CC)OC[C@H]1OC(C)[C@@H](OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C18H32O8Si/c1-8-27(7,9-2)22-10-15-17(25-13(5)20)18(26-14(6)21)16(11(3)23-15)24-12(4)19/h11,15-18H,8-10H2,1-7H3/t11?,15-,16-,17?,18?/m1/s1
InChIKeyQBUFOAYSKGSITK-JPTZAXLBSA-N
XLogP2.20
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

TBDMS(-2)[TBDMS(-3)][TBDMS(-6)]a-Glc1F4Ac
CID 134937551
TBDMS(-2)[TBDMS(-3)][TBDMS(-6)]b-Glc1F4Ac
CID 134938070
[(2S,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-bis(hydroxymethyl)oxan-3-yl] 2,2-dimethylpropanoate
CID 102377694
Nrjiiukuaqbwbu-uuajxviysa-
CID 11281574
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate
CID 12897497
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[dimethyl(octadecyl)silyl]oxyoxan-2-yl]methyl acetate
CID 46175324
6-[2-(tert-Butyldimethylsilanyloxy)ethyl]-5-(2-methoxyethoxymethoxy)tetrahydropyran-2-yl acetate
CID 46894693
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[dodecyl(dimethyl)silyl]oxyoxan-2-yl]methyl acetate
CID 91408137
[(2S,3S,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(2-hydroxyethyl)-6-(hydroxymethyl)oxan-3-yl] acetate
CID 101748631
[(2S,3R,4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-bis(hydroxymethyl)oxan-3-yl] 2,2-dimethylpropanoate
CID 102377681
[(2S,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-bis(hydroxymethyl)oxan-3-yl] 2,2-dimethylpropanoate
CID 102377696
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate
CID 134878381

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate?
The IUPAC name of [(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate (CID 134831855) is [(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate.
What is the SMILES notation for [(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate?
The canonical SMILES for [(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate is CC[Si](C)(CC)OC[C@H]1OC(C)[C@@H](OC(C)=O)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of [(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate?
The InChIKey is QBUFOAYSKGSITK-JPTZAXLBSA-N. The full InChI is InChI=1S/C18H32O8Si/c1-8-27(7,9-2)22-10-15-17(25-13(5)20)18(26-14(6)21)16(11(3)23-15)24-12(4)19/h11,15-18H,8-10H2,1-7H3/t11?,15-,16-,17?,18?/m1/s1.
What are the key properties of [(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate?
[(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate has a molecular weight of 404.53 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate is sourced from PubChem (CID 134831855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).