[dimethyl(propan-2-yl)silyl] butanoate

C9H20O2Si — CID 554722

IUPAC[dimethyl(propan-2-yl)silyl] butanoate
SMILESCCCC(=O)O[Si](C)(C)C(C)C
InChIInChI=1S/C9H20O2Si/c1-6-7-9(10)11-12(4,5)8(2)3/h8H,6-7H2,1-5H3
InChIKeyMGZJOIZVWLPGND-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.94
Rot. Bonds4

About [dimethyl(propan-2-yl)silyl] butanoate

[dimethyl(propan-2-yl)silyl] butanoate (PubChem CID 554722) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is [dimethyl(propan-2-yl)silyl] butanoate.

Molecular Properties

Compound Name[dimethyl(propan-2-yl)silyl] butanoate
PubChem CID554722
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name[dimethyl(propan-2-yl)silyl] butanoate
SMILESCCCC(=O)O[Si](C)(C)C(C)C
InChIInChI=1S/C9H20O2Si/c1-6-7-9(10)11-12(4,5)8(2)3/h8H,6-7H2,1-5H3
InChIKeyMGZJOIZVWLPGND-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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 [dimethyl(propan-2-yl)silyl] butanoate?
The IUPAC name of [dimethyl(propan-2-yl)silyl] butanoate (CID 554722) is [dimethyl(propan-2-yl)silyl] butanoate.
What is the SMILES notation for [dimethyl(propan-2-yl)silyl] butanoate?
The canonical SMILES for [dimethyl(propan-2-yl)silyl] butanoate is CCCC(=O)O[Si](C)(C)C(C)C.
What is the InChIKey of [dimethyl(propan-2-yl)silyl] butanoate?
The InChIKey is MGZJOIZVWLPGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-6-7-9(10)11-12(4,5)8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of [dimethyl(propan-2-yl)silyl] butanoate?
[dimethyl(propan-2-yl)silyl] butanoate has a molecular weight of 188.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(propan-2-yl)silyl] butanoate is sourced from PubChem (CID 554722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).