[(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate

C28H38O6Si — CID 59509628

IUPAC[(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate
SMILESCC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(OC(C)=O)[C@H](OC(C)=O)[C@@H]1C
InChIInChI=1S/C28H38O6Si/c1-8-28(20(2)25(32-21(3)29)26(34-28)33-22(4)30)19-31-35(27(5,6)7,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20,25-26H,8,19H2,1-7H3/t20-,25+,26?,28-/m0/s1
InChIKeyNFUROXHKQJMMPX-IWJXAPFUSA-N
MW498.69 g/mol
LogP4.20
Rot. Bonds8

About [(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate

[(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate (PubChem CID 59509628) has the molecular formula C28H38O6Si and a molecular weight of 498.69 g/mol. Its IUPAC name is [(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate
PubChem CID59509628
Molecular FormulaC28H38O6Si
Molecular Weight498.69 g/mol
Exact Mass498.24
IUPAC Name[(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate
SMILESCC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(OC(C)=O)[C@H](OC(C)=O)[C@@H]1C
InChIInChI=1S/C28H38O6Si/c1-8-28(20(2)25(32-21(3)29)26(34-28)33-22(4)30)19-31-35(27(5,6)7,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20,25-26H,8,19H2,1-7H3/t20-,25+,26?,28-/m0/s1
InChIKeyNFUROXHKQJMMPX-IWJXAPFUSA-N
XLogP4.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.69
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate?
The IUPAC name of [(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate (CID 59509628) is [(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate.
What is the SMILES notation for [(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate?
The canonical SMILES for [(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate is CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(OC(C)=O)[C@H](OC(C)=O)[C@@H]1C.
What is the InChIKey of [(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate?
The InChIKey is NFUROXHKQJMMPX-IWJXAPFUSA-N. The full InChI is InChI=1S/C28H38O6Si/c1-8-28(20(2)25(32-21(3)29)26(34-28)33-22(4)30)19-31-35(27(5,6)7,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,20,25-26H,8,19H2,1-7H3/t20-,25+,26?,28-/m0/s1.
What are the key properties of [(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate?
[(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate has a molecular weight of 498.69 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate is sourced from PubChem (CID 59509628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).