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

C12H24O3Si — CID 10911775

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-11(2,3)16(6,7)15-9-10(13)14-8-12(9,4)5/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyGZEPBTHBGVYMEH-VIFPVBQESA-N
MW244.41 g/mol
LogP2.96
Rot. Bonds2

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

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one (PubChem CID 10911775) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one
PubChem CID10911775
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one
SMILESCC1(C)COC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-11(2,3)16(6,7)15-9-10(13)14-8-12(9,4)5/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyGZEPBTHBGVYMEH-VIFPVBQESA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.96
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(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one (CID 10911775) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one is CC1(C)COC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one?
The InChIKey is GZEPBTHBGVYMEH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24O3Si/c1-11(2,3)16(6,7)15-9-10(13)14-8-12(9,4)5/h9H,8H2,1-7H3/t9-/m0/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one has a molecular weight of 244.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloxolan-2-one is sourced from PubChem (CID 10911775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).