1-trimethylsilylprop-2-enyl acetate

C8H16O2Si — CID 11845536

IUPAC1-trimethylsilylprop-2-enyl acetate
SMILESC=CC(OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-6-8(10-7(2)9)11(3,4)5/h6,8H,1H2,2-5H3
InChIKeyIAMQLXWPWSUFPI-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.98
Rot. Bonds3

About 1-trimethylsilylprop-2-enyl acetate

1-trimethylsilylprop-2-enyl acetate (PubChem CID 11845536) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-trimethylsilylprop-2-enyl acetate.

Molecular Properties

Compound Name1-trimethylsilylprop-2-enyl acetate
PubChem CID11845536
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name1-trimethylsilylprop-2-enyl acetate
SMILESC=CC(OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-6-8(10-7(2)9)11(3,4)5/h6,8H,1H2,2-5H3
InChIKeyIAMQLXWPWSUFPI-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.98
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 1-trimethylsilylprop-2-enyl acetate?
The IUPAC name of 1-trimethylsilylprop-2-enyl acetate (CID 11845536) is 1-trimethylsilylprop-2-enyl acetate.
What is the SMILES notation for 1-trimethylsilylprop-2-enyl acetate?
The canonical SMILES for 1-trimethylsilylprop-2-enyl acetate is C=CC(OC(C)=O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylprop-2-enyl acetate?
The InChIKey is IAMQLXWPWSUFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-6-8(10-7(2)9)11(3,4)5/h6,8H,1H2,2-5H3.
What are the key properties of 1-trimethylsilylprop-2-enyl acetate?
1-trimethylsilylprop-2-enyl acetate has a molecular weight of 172.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylprop-2-enyl acetate is sourced from PubChem (CID 11845536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).