(5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one

C13H26O4Si — CID 67299740

IUPAC(5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O4Si/c1-12(2,3)18(6,7)15-9-8-10-11(14)17-13(4,5)16-10/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyWALPPAFJTQZXHD-JTQLQIEISA-N
MW274.43 g/mol
LogP3.08
Rot. Bonds4

About (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one

(5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 67299740) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID67299740
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O4Si/c1-12(2,3)18(6,7)15-9-8-10-11(14)17-13(4,5)16-10/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyWALPPAFJTQZXHD-JTQLQIEISA-N
XLogP3.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one (CID 67299740) is (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one is CC1(C)OC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is WALPPAFJTQZXHD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H26O4Si/c1-12(2,3)18(6,7)15-9-8-10-11(14)17-13(4,5)16-10/h10H,8-9H2,1-7H3/t10-/m0/s1.
What are the key properties of (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one?
(5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 274.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 67299740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).