[2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate

C34H40O7Si — CID 67359153

IUPAC[2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate
SMILESC=CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(OC(C)=O)C(OC(C)=O)C1OCc1ccccc1
InChIInChI=1S/C34H40O7Si/c1-7-34(24-38-42(33(4,5)6,28-19-13-9-14-20-28)29-21-15-10-16-22-29)31(37-23-27-17-11-8-12-18-27)30(39-25(2)35)32(41-34)40-26(3)36/h7-22,30-32H,1,23-24H2,2-6H3
InChIKeyGSALKXHMAANELT-UHFFFAOYSA-N
MW588.77 g/mol
LogP4.92
Rot. Bonds11

About [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate

[2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate (PubChem CID 67359153) has the molecular formula C34H40O7Si and a molecular weight of 588.77 g/mol. Its IUPAC name is [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate
PubChem CID67359153
Molecular FormulaC34H40O7Si
Molecular Weight588.77 g/mol
Exact Mass588.25
IUPAC Name[2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate
SMILESC=CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(OC(C)=O)C(OC(C)=O)C1OCc1ccccc1
InChIInChI=1S/C34H40O7Si/c1-7-34(24-38-42(33(4,5)6,28-19-13-9-14-20-28)29-21-15-10-16-22-29)31(37-23-27-17-11-8-12-18-27)30(39-25(2)35)32(41-34)40-26(3)36/h7-22,30-32H,1,23-24H2,2-6H3
InChIKeyGSALKXHMAANELT-UHFFFAOYSA-N
XLogP4.92
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.77
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate?
The IUPAC name of [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate (CID 67359153) is [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate.
What is the SMILES notation for [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate?
The canonical SMILES for [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate is C=CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(OC(C)=O)C(OC(C)=O)C1OCc1ccccc1.
What is the InChIKey of [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate?
The InChIKey is GSALKXHMAANELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40O7Si/c1-7-34(24-38-42(33(4,5)6,28-19-13-9-14-20-28)29-21-15-10-16-22-29)31(37-23-27-17-11-8-12-18-27)30(39-25(2)35)32(41-34)40-26(3)36/h7-22,30-32H,1,23-24H2,2-6H3.
What are the key properties of [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate?
[2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate has a molecular weight of 588.77 g/mol, XLogP of 4.92, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-4-phenylmethoxyoxolan-3-yl] acetate is sourced from PubChem (CID 67359153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).