(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one

C22H28O3Si — CID 10872303

IUPAC(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O3Si/c1-21(2,3)26(17-12-8-6-9-13-17,18-14-10-7-11-15-18)25-19-20(23)24-16-22(19,4)5/h6-15,19H,16H2,1-5H3/t19-/m0/s1
InChIKeyPMNRVYCFDBZOEI-IBGZPJMESA-N
MW368.55 g/mol
LogP3.51
Rot. Bonds4

About (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one

(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one (PubChem CID 10872303) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one
PubChem CID10872303
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O3Si/c1-21(2,3)26(17-12-8-6-9-13-17,18-14-10-7-11-15-18)25-19-20(23)24-16-22(19,4)5/h6-15,19H,16H2,1-5H3/t19-/m0/s1
InChIKeyPMNRVYCFDBZOEI-IBGZPJMESA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one?
The IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one (CID 10872303) is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one.
What is the SMILES notation for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one?
The canonical SMILES for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one is CC1(C)COC(=O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one?
The InChIKey is PMNRVYCFDBZOEI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28O3Si/c1-21(2,3)26(17-12-8-6-9-13-17,18-14-10-7-11-15-18)25-19-20(23)24-16-22(19,4)5/h6-15,19H,16H2,1-5H3/t19-/m0/s1.
What are the key properties of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one?
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one has a molecular weight of 368.55 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyloxolan-2-one is sourced from PubChem (CID 10872303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).