silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate

C8H16O4Si — CID 173168291

IUPACsilyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate
SMILESCC(C)(COCC1CO1)C(=O)O[SiH3]
InChIInChI=1S/C8H16O4Si/c1-8(2,7(9)12-13)5-10-3-6-4-11-6/h6H,3-5H2,1-2,13H3
InChIKeyYNNPSLREVRXCSI-UHFFFAOYSA-N
MW204.30 g/mol
LogP-0.75
Rot. Bonds5

About silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate

silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate (PubChem CID 173168291) has the molecular formula C8H16O4Si and a molecular weight of 204.30 g/mol. Its IUPAC name is silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate.

Molecular Properties

Compound Namesilyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate
PubChem CID173168291
Molecular FormulaC8H16O4Si
Molecular Weight204.30 g/mol
Exact Mass204.08
IUPAC Namesilyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate
SMILESCC(C)(COCC1CO1)C(=O)O[SiH3]
InChIInChI=1S/C8H16O4Si/c1-8(2,7(9)12-13)5-10-3-6-4-11-6/h6H,3-5H2,1-2,13H3
InChIKeyYNNPSLREVRXCSI-UHFFFAOYSA-N
XLogP-0.75
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate?
The IUPAC name of silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate (CID 173168291) is silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate.
What is the SMILES notation for silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate?
The canonical SMILES for silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate is CC(C)(COCC1CO1)C(=O)O[SiH3].
What is the InChIKey of silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate?
The InChIKey is YNNPSLREVRXCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4Si/c1-8(2,7(9)12-13)5-10-3-6-4-11-6/h6H,3-5H2,1-2,13H3.
What are the key properties of silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate?
silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate has a molecular weight of 204.30 g/mol, XLogP of -0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,2-dimethyl-3-(oxiran-2-ylmethoxy)propanoate is sourced from PubChem (CID 173168291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).