prop-2-enyl 2-trimethylsilylacetate

C8H16O2Si — CID 19990685

IUPACprop-2-enyl 2-trimethylsilylacetate
SMILESC=CCOC(=O)C[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-5-6-10-8(9)7-11(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyFUKBGKKSLNKOBT-UHFFFAOYSA-N
MW172.30 g/mol
LogP2.05
Rot. Bonds4

About prop-2-enyl 2-trimethylsilylacetate

prop-2-enyl 2-trimethylsilylacetate (PubChem CID 19990685) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is prop-2-enyl 2-trimethylsilylacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-trimethylsilylacetate
PubChem CID19990685
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Nameprop-2-enyl 2-trimethylsilylacetate
SMILESC=CCOC(=O)C[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-5-6-10-8(9)7-11(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyFUKBGKKSLNKOBT-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 prop-2-enyl 2-trimethylsilylacetate?
The IUPAC name of prop-2-enyl 2-trimethylsilylacetate (CID 19990685) is prop-2-enyl 2-trimethylsilylacetate.
What is the SMILES notation for prop-2-enyl 2-trimethylsilylacetate?
The canonical SMILES for prop-2-enyl 2-trimethylsilylacetate is C=CCOC(=O)C[Si](C)(C)C.
What is the InChIKey of prop-2-enyl 2-trimethylsilylacetate?
The InChIKey is FUKBGKKSLNKOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-5-6-10-8(9)7-11(2,3)4/h5H,1,6-7H2,2-4H3.
What are the key properties of prop-2-enyl 2-trimethylsilylacetate?
prop-2-enyl 2-trimethylsilylacetate has a molecular weight of 172.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-trimethylsilylacetate is sourced from PubChem (CID 19990685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).