(2-methyl-1-trimethylsilylprop-2-enyl) acetate

C9H18O2Si — CID 11206237

IUPAC(2-methyl-1-trimethylsilylprop-2-enyl) acetate
SMILESC=C(C)C(OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-7(2)9(11-8(3)10)12(4,5)6/h9H,1H2,2-6H3
InChIKeyBBPPECJHMOABIA-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.37
Rot. Bonds3

About (2-methyl-1-trimethylsilylprop-2-enyl) acetate

(2-methyl-1-trimethylsilylprop-2-enyl) acetate (PubChem CID 11206237) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is (2-methyl-1-trimethylsilylprop-2-enyl) acetate.

Molecular Properties

Compound Name(2-methyl-1-trimethylsilylprop-2-enyl) acetate
PubChem CID11206237
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name(2-methyl-1-trimethylsilylprop-2-enyl) acetate
SMILESC=C(C)C(OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-7(2)9(11-8(3)10)12(4,5)6/h9H,1H2,2-6H3
InChIKeyBBPPECJHMOABIA-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.37
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 (2-methyl-1-trimethylsilylprop-2-enyl) acetate?
The IUPAC name of (2-methyl-1-trimethylsilylprop-2-enyl) acetate (CID 11206237) is (2-methyl-1-trimethylsilylprop-2-enyl) acetate.
What is the SMILES notation for (2-methyl-1-trimethylsilylprop-2-enyl) acetate?
The canonical SMILES for (2-methyl-1-trimethylsilylprop-2-enyl) acetate is C=C(C)C(OC(C)=O)[Si](C)(C)C.
What is the InChIKey of (2-methyl-1-trimethylsilylprop-2-enyl) acetate?
The InChIKey is BBPPECJHMOABIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-7(2)9(11-8(3)10)12(4,5)6/h9H,1H2,2-6H3.
What are the key properties of (2-methyl-1-trimethylsilylprop-2-enyl) acetate?
(2-methyl-1-trimethylsilylprop-2-enyl) acetate has a molecular weight of 186.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-trimethylsilylprop-2-enyl) acetate is sourced from PubChem (CID 11206237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).