1-trimethylsilylbutan-2-yl acetate

C9H20O2Si — CID 20661380

IUPAC1-trimethylsilylbutan-2-yl acetate
SMILESCCC(C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C9H20O2Si/c1-6-9(11-8(2)10)7-12(3,4)5/h9H,6-7H2,1-5H3
InChIKeyFCQKOKAGOABGHK-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.67
Rot. Bonds4

About 1-trimethylsilylbutan-2-yl acetate

1-trimethylsilylbutan-2-yl acetate (PubChem CID 20661380) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-trimethylsilylbutan-2-yl acetate.

Molecular Properties

Compound Name1-trimethylsilylbutan-2-yl acetate
PubChem CID20661380
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name1-trimethylsilylbutan-2-yl acetate
SMILESCCC(C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C9H20O2Si/c1-6-9(11-8(2)10)7-12(3,4)5/h9H,6-7H2,1-5H3
InChIKeyFCQKOKAGOABGHK-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylbutan-2-yl acetate?
The IUPAC name of 1-trimethylsilylbutan-2-yl acetate (CID 20661380) is 1-trimethylsilylbutan-2-yl acetate.
What is the SMILES notation for 1-trimethylsilylbutan-2-yl acetate?
The canonical SMILES for 1-trimethylsilylbutan-2-yl acetate is CCC(C[Si](C)(C)C)OC(C)=O.
What is the InChIKey of 1-trimethylsilylbutan-2-yl acetate?
The InChIKey is FCQKOKAGOABGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-6-9(11-8(2)10)7-12(3,4)5/h9H,6-7H2,1-5H3.
What are the key properties of 1-trimethylsilylbutan-2-yl acetate?
1-trimethylsilylbutan-2-yl acetate has a molecular weight of 188.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylbutan-2-yl acetate is sourced from PubChem (CID 20661380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).