methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate

C25H32O4Si — CID 102283651

IUPACmethyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate
SMILESC=C1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1CC(=O)OC
InChIInChI=1S/C25H32O4Si/c1-19-16-20(29-23(19)17-24(26)27-5)18-28-30(25(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23H,1,16-18H2,2-5H3/t20-,23-/m1/s1
InChIKeyCIIXDGRTWJYJQC-NFBKMPQASA-N
MW424.61 g/mol
LogP3.84
Rot. Bonds7

About methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate

methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate (PubChem CID 102283651) has the molecular formula C25H32O4Si and a molecular weight of 424.61 g/mol. Its IUPAC name is methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate
PubChem CID102283651
Molecular FormulaC25H32O4Si
Molecular Weight424.61 g/mol
Exact Mass424.21
IUPAC Namemethyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate
SMILESC=C1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1CC(=O)OC
InChIInChI=1S/C25H32O4Si/c1-19-16-20(29-23(19)17-24(26)27-5)18-28-30(25(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23H,1,16-18H2,2-5H3/t20-,23-/m1/s1
InChIKeyCIIXDGRTWJYJQC-NFBKMPQASA-N
XLogP3.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate (CID 102283651) is methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate is C=C1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1CC(=O)OC.
What is the InChIKey of methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate?
The InChIKey is CIIXDGRTWJYJQC-NFBKMPQASA-N. The full InChI is InChI=1S/C25H32O4Si/c1-19-16-20(29-23(19)17-24(26)27-5)18-28-30(25(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23H,1,16-18H2,2-5H3/t20-,23-/m1/s1.
What are the key properties of methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate?
methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate has a molecular weight of 424.61 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylideneoxolan-2-yl]acetate is sourced from PubChem (CID 102283651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).