3-[tert-butyl(dimethyl)silyl]oxybutan-2-one

C10H22O2Si — CID 11041831

IUPAC3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
SMILESCC(=O)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-8(11)9(2)12-13(6,7)10(3,4)5/h9H,1-7H3
InChIKeyBIULXYNLMGANCB-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.99
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxybutan-2-one

3-[tert-butyl(dimethyl)silyl]oxybutan-2-one (PubChem CID 11041831) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxybutan-2-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
PubChem CID11041831
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
SMILESCC(=O)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-8(11)9(2)12-13(6,7)10(3,4)5/h9H,1-7H3
InChIKeyBIULXYNLMGANCB-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.99
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 3-[tert-butyl(dimethyl)silyl]oxybutan-2-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxybutan-2-one (CID 11041831) is 3-[tert-butyl(dimethyl)silyl]oxybutan-2-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxybutan-2-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxybutan-2-one is CC(=O)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxybutan-2-one?
The InChIKey is BIULXYNLMGANCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-8(11)9(2)12-13(6,7)10(3,4)5/h9H,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxybutan-2-one?
3-[tert-butyl(dimethyl)silyl]oxybutan-2-one has a molecular weight of 202.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxybutan-2-one is sourced from PubChem (CID 11041831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).