[methylsilyloxy(oxiran-2-yl)methyl] propanoate

C7H14O4Si — CID 173443722

IUPAC[methylsilyloxy(oxiran-2-yl)methyl] propanoate
SMILESCCC(=O)OC(O[SiH2]C)C1CO1
InChIInChI=1S/C7H14O4Si/c1-3-6(8)10-7(11-12-2)5-4-9-5/h5,7H,3-4,12H2,1-2H3
InChIKeySRSJHPXYOHPCQM-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.19
Rot. Bonds5

About [methylsilyloxy(oxiran-2-yl)methyl] propanoate

[methylsilyloxy(oxiran-2-yl)methyl] propanoate (PubChem CID 173443722) has the molecular formula C7H14O4Si and a molecular weight of 190.27 g/mol. Its IUPAC name is [methylsilyloxy(oxiran-2-yl)methyl] propanoate.

Molecular Properties

Compound Name[methylsilyloxy(oxiran-2-yl)methyl] propanoate
PubChem CID173443722
Molecular FormulaC7H14O4Si
Molecular Weight190.27 g/mol
Exact Mass190.07
IUPAC Name[methylsilyloxy(oxiran-2-yl)methyl] propanoate
SMILESCCC(=O)OC(O[SiH2]C)C1CO1
InChIInChI=1S/C7H14O4Si/c1-3-6(8)10-7(11-12-2)5-4-9-5/h5,7H,3-4,12H2,1-2H3
InChIKeySRSJHPXYOHPCQM-UHFFFAOYSA-N
XLogP-0.19
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methylsilyloxy(oxiran-2-yl)methyl] propanoate?
The IUPAC name of [methylsilyloxy(oxiran-2-yl)methyl] propanoate (CID 173443722) is [methylsilyloxy(oxiran-2-yl)methyl] propanoate.
What is the SMILES notation for [methylsilyloxy(oxiran-2-yl)methyl] propanoate?
The canonical SMILES for [methylsilyloxy(oxiran-2-yl)methyl] propanoate is CCC(=O)OC(O[SiH2]C)C1CO1.
What is the InChIKey of [methylsilyloxy(oxiran-2-yl)methyl] propanoate?
The InChIKey is SRSJHPXYOHPCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4Si/c1-3-6(8)10-7(11-12-2)5-4-9-5/h5,7H,3-4,12H2,1-2H3.
What are the key properties of [methylsilyloxy(oxiran-2-yl)methyl] propanoate?
[methylsilyloxy(oxiran-2-yl)methyl] propanoate has a molecular weight of 190.27 g/mol, XLogP of -0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methylsilyloxy(oxiran-2-yl)methyl] propanoate is sourced from PubChem (CID 173443722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).