3-(ethoxy-methyl-propylsilyl)oxybutan-2-one

C10H22O3Si — CID 162234752

IUPAC3-(ethoxy-methyl-propylsilyl)oxybutan-2-one
SMILESCCC[Si](C)(OCC)OC(C)C(C)=O
InChIInChI=1S/C10H22O3Si/c1-6-8-14(5,12-7-2)13-10(4)9(3)11/h10H,6-8H2,1-5H3
InChIKeyDDLDXMSJKCQKQL-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.50
Rot. Bonds7

About 3-(ethoxy-methyl-propylsilyl)oxybutan-2-one

3-(ethoxy-methyl-propylsilyl)oxybutan-2-one (PubChem CID 162234752) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-(ethoxy-methyl-propylsilyl)oxybutan-2-one.

Molecular Properties

Compound Name3-(ethoxy-methyl-propylsilyl)oxybutan-2-one
PubChem CID162234752
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name3-(ethoxy-methyl-propylsilyl)oxybutan-2-one
SMILESCCC[Si](C)(OCC)OC(C)C(C)=O
InChIInChI=1S/C10H22O3Si/c1-6-8-14(5,12-7-2)13-10(4)9(3)11/h10H,6-8H2,1-5H3
InChIKeyDDLDXMSJKCQKQL-UHFFFAOYSA-N
XLogP2.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(ethoxy-methyl-propylsilyl)oxybutan-2-one?
The IUPAC name of 3-(ethoxy-methyl-propylsilyl)oxybutan-2-one (CID 162234752) is 3-(ethoxy-methyl-propylsilyl)oxybutan-2-one.
What is the SMILES notation for 3-(ethoxy-methyl-propylsilyl)oxybutan-2-one?
The canonical SMILES for 3-(ethoxy-methyl-propylsilyl)oxybutan-2-one is CCC[Si](C)(OCC)OC(C)C(C)=O.
What is the InChIKey of 3-(ethoxy-methyl-propylsilyl)oxybutan-2-one?
The InChIKey is DDLDXMSJKCQKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-6-8-14(5,12-7-2)13-10(4)9(3)11/h10H,6-8H2,1-5H3.
What are the key properties of 3-(ethoxy-methyl-propylsilyl)oxybutan-2-one?
3-(ethoxy-methyl-propylsilyl)oxybutan-2-one has a molecular weight of 218.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxy-methyl-propylsilyl)oxybutan-2-one is sourced from PubChem (CID 162234752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).