trimethylsilyl 2-prop-2-enoxypropanoate

C9H18O3Si — CID 54107693

IUPACtrimethylsilyl 2-prop-2-enoxypropanoate
SMILESC=CCOC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-6-7-11-8(2)9(10)12-13(3,4)5/h6,8H,1,7H2,2-5H3
InChIKeyNEXLDIKSNFAPMF-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.96
Rot. Bonds5

About trimethylsilyl 2-prop-2-enoxypropanoate

trimethylsilyl 2-prop-2-enoxypropanoate (PubChem CID 54107693) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is trimethylsilyl 2-prop-2-enoxypropanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-prop-2-enoxypropanoate
PubChem CID54107693
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Nametrimethylsilyl 2-prop-2-enoxypropanoate
SMILESC=CCOC(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-6-7-11-8(2)9(10)12-13(3,4)5/h6,8H,1,7H2,2-5H3
InChIKeyNEXLDIKSNFAPMF-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-prop-2-enoxypropanoate?
The IUPAC name of trimethylsilyl 2-prop-2-enoxypropanoate (CID 54107693) is trimethylsilyl 2-prop-2-enoxypropanoate.
What is the SMILES notation for trimethylsilyl 2-prop-2-enoxypropanoate?
The canonical SMILES for trimethylsilyl 2-prop-2-enoxypropanoate is C=CCOC(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-prop-2-enoxypropanoate?
The InChIKey is NEXLDIKSNFAPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-6-7-11-8(2)9(10)12-13(3,4)5/h6,8H,1,7H2,2-5H3.
What are the key properties of trimethylsilyl 2-prop-2-enoxypropanoate?
trimethylsilyl 2-prop-2-enoxypropanoate has a molecular weight of 202.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-prop-2-enoxypropanoate is sourced from PubChem (CID 54107693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).