[4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate

C24H40O8Si — CID 59917220

IUPAC[4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate
SMILESCC[Si](OCC1OC(C)C(C2C(=O)OC(=O)C2C)C(C(C)=O)C1OC(C)=O)(C(C)C)C(C)C
InChIInChI=1S/C24H40O8Si/c1-10-33(12(2)3,13(4)5)29-11-18-22(31-17(9)26)20(15(7)25)21(16(8)30-18)19-14(6)23(27)32-24(19)28/h12-14,16,18-22H,10-11H2,1-9H3
InChIKeyBMPNMFBKXGIJEK-UHFFFAOYSA-N
MW484.66 g/mol
LogP3.66
Rot. Bonds9

About [4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate

[4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate (PubChem CID 59917220) has the molecular formula C24H40O8Si and a molecular weight of 484.66 g/mol. Its IUPAC name is [4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate
PubChem CID59917220
Molecular FormulaC24H40O8Si
Molecular Weight484.66 g/mol
Exact Mass484.25
IUPAC Name[4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate
SMILESCC[Si](OCC1OC(C)C(C2C(=O)OC(=O)C2C)C(C(C)=O)C1OC(C)=O)(C(C)C)C(C)C
InChIInChI=1S/C24H40O8Si/c1-10-33(12(2)3,13(4)5)29-11-18-22(31-17(9)26)20(15(7)25)21(16(8)30-18)19-14(6)23(27)32-24(19)28/h12-14,16,18-22H,10-11H2,1-9H3
InChIKeyBMPNMFBKXGIJEK-UHFFFAOYSA-N
XLogP3.66
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.66
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5-[(2R,5R,6S)-5-ethyl-6-methyl-5-triethylsilyloxyoxan-2-yl]-5-methyloxolan-2-one
CID 11013732
methyl 2-[(2S,3R,4R,5S,6S)-2-acetyl-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]acetate
CID 23631142
(1R,2R,4R,5S,6R)-5-[ditert-butyl(fluoro)silyl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-3,7-dioxatricyclo[4.3.0.02,9]nonan-8-one
CID 101270025
3-[5-[[2,5-Dioxo-4-(1-trimethylsilylbutan-2-yl)oxolan-3-yl]methyl]-2,6-dihydroperoxy-3-methyl-6-(4-methyl-2-oxooxan-4-yl)hexoxy]-3-oxopropanoic acid
CID 20580313
1,3-Bis(trimethylsilyl)propan-2-yl 2,2-dimethyl-3-[4-(3-methyloxan-2-yl)-2,5-dioxooxolan-3-yl]propanoate
CID 20754309
1,3-Bis(trimethylsilyl)propan-2-yl 3-[4-(2,3-dimethyl-6-oxooxan-2-yl)-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
CID 20754310
2-[1-[4-[2-Methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2,5-dioxooxolan-3-yl]propan-2-yloxy]ethyl 2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carboxylate
CID 20822614
5-O-tert-butyl 1-O-methyl 4-[[2,5-dioxo-4-[2-[2-(2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4-carbonyl)oxyethoxy]propyl]oxolan-3-yl]methyl]-2,2-dimethylpentanedioate
CID 20822633
1-O-tert-butyl 5-O-(5-oxooxolan-3-yl) 4-methyl-2-[[4-(2-methyl-3-trimethylsilylpropyl)-2,5-dioxooxolan-3-yl]methyl]pentanedioate
CID 59061000
3-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione
CID 59917216
3-[4-[Tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-methyloxan-3-yl]-4-methyloxolane-2,5-dione
CID 59917217
[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

Frequently Asked Questions

What is the IUPAC name of [4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate?
The IUPAC name of [4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate (CID 59917220) is [4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate.
What is the SMILES notation for [4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate?
The canonical SMILES for [4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate is CC[Si](OCC1OC(C)C(C2C(=O)OC(=O)C2C)C(C(C)=O)C1OC(C)=O)(C(C)C)C(C)C.
What is the InChIKey of [4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate?
The InChIKey is BMPNMFBKXGIJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O8Si/c1-10-33(12(2)3,13(4)5)29-11-18-22(31-17(9)26)20(15(7)25)21(16(8)30-18)19-14(6)23(27)32-24(19)28/h12-14,16,18-22H,10-11H2,1-9H3.
What are the key properties of [4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate?
[4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate has a molecular weight of 484.66 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyl-2-[[ethyl-di(propan-2-yl)silyl]oxymethyl]-6-methyl-5-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate is sourced from PubChem (CID 59917220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).