[2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate

C18H28O9Si — CID 123539821

IUPAC[2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate
SMILESC[SiH2]C1(C)CC2OC(=O)CC2C(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1
InChIInChI=1S/C18H28O9Si/c1-9(19)23-8-14(24-10(2)20)17(25-11(3)21)16-12-6-15(22)26-13(12)7-18(4,27-16)28-5/h12-14,16-17H,6-8,28H2,1-5H3
InChIKeyVKLYRDZRWPDXGT-UHFFFAOYSA-N
MW416.50 g/mol
LogP0.07
Rot. Bonds7

About [2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate

[2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate (PubChem CID 123539821) has the molecular formula C18H28O9Si and a molecular weight of 416.50 g/mol. Its IUPAC name is [2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate.

Molecular Properties

Compound Name[2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate
PubChem CID123539821
Molecular FormulaC18H28O9Si
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name[2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate
SMILESC[SiH2]C1(C)CC2OC(=O)CC2C(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1
InChIInChI=1S/C18H28O9Si/c1-9(19)23-8-14(24-10(2)20)17(25-11(3)21)16-12-6-15(22)26-13(12)7-18(4,27-16)28-5/h12-14,16-17H,6-8,28H2,1-5H3
InChIKeyVKLYRDZRWPDXGT-UHFFFAOYSA-N
XLogP0.07
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate with MolForge

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Related Compounds

(5S)-5-[(2R,5R,6S)-5-ethyl-6-methyl-5-triethylsilyloxyoxan-2-yl]-5-methyloxolan-2-one
CID 11013732
[(1R,2R)-1-[(3aR,7aR)-6,6-dimethyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl]-1-acetyloxybutan-2-yl] acetate
CID 58153190
methyl (3aR,6S,7aR)-4-[(1R,2R)-1,2-diacetyloxybutyl]-6-methyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-6-carboxylate
CID 58153192
methyl (3aR,6R,7aR)-4-[(1R,2R)-1,2-diacetyloxybutyl]-6-methyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-6-carboxylate
CID 58153216
[4-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate
CID 59917219
methyl 6-methyl-2-oxo-4-(1,2,3-triacetyloxypropyl)-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-6-carboxylate
CID 91250476
[2,3-diacetyloxy-3-(6,6-dimethyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate
CID 91295900
2-[(6R,7S,7aS)-6,7-diacetyloxy-2-oxo-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-3-yl]ethyl acetate
CID 142342544
2-[(5R,6S,7aS)-6,7-diacetyloxy-5-(acetyloxymethyl)-2-oxo-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-3-yl]ethyl acetate
CID 164162261
2-[(5R,6R,7R,7aR)-6,7-diacetyloxy-5-(acetyloxymethyl)-2-oxo-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-3-yl]ethyl acetate
CID 164162262
(1S,3R,7R,9S,13S)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxyethyl]-13-methyl-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-11-one
CID 173783904
methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-3-yl]acetate
CID 173847518

Frequently Asked Questions

What is the IUPAC name of [2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate?
The IUPAC name of [2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate (CID 123539821) is [2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate.
What is the SMILES notation for [2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate?
The canonical SMILES for [2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate is C[SiH2]C1(C)CC2OC(=O)CC2C(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1.
What is the InChIKey of [2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate?
The InChIKey is VKLYRDZRWPDXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O9Si/c1-9(19)23-8-14(24-10(2)20)17(25-11(3)21)16-12-6-15(22)26-13(12)7-18(4,27-16)28-5/h12-14,16-17H,6-8,28H2,1-5H3.
What are the key properties of [2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate?
[2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate has a molecular weight of 416.50 g/mol, XLogP of 0.07, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-diacetyloxy-3-(6-methyl-6-methylsilyl-2-oxo-3a,4,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-yl)propyl] acetate is sourced from PubChem (CID 123539821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).