3-methylbutyl 2-tripropylsilyloxypropanoate

C17H36O3Si — CID 71387959

IUPAC3-methylbutyl 2-tripropylsilyloxypropanoate
SMILESCCC[Si](CCC)(CCC)OC(C)C(=O)OCCC(C)C
InChIInChI=1S/C17H36O3Si/c1-7-12-21(13-8-2,14-9-3)20-16(6)17(18)19-11-10-15(4)5/h15-16H,7-14H2,1-6H3
InChIKeyZWWCICYGUDSMHL-UHFFFAOYSA-N
MW316.56 g/mol
LogP5.16
Rot. Bonds12

About 3-methylbutyl 2-tripropylsilyloxypropanoate

3-methylbutyl 2-tripropylsilyloxypropanoate (PubChem CID 71387959) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is 3-methylbutyl 2-tripropylsilyloxypropanoate.

Molecular Properties

Compound Name3-methylbutyl 2-tripropylsilyloxypropanoate
PubChem CID71387959
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name3-methylbutyl 2-tripropylsilyloxypropanoate
SMILESCCC[Si](CCC)(CCC)OC(C)C(=O)OCCC(C)C
InChIInChI=1S/C17H36O3Si/c1-7-12-21(13-8-2,14-9-3)20-16(6)17(18)19-11-10-15(4)5/h15-16H,7-14H2,1-6H3
InChIKeyZWWCICYGUDSMHL-UHFFFAOYSA-N
XLogP5.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.16
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-methylbutyl 2-tripropylsilyloxypropanoate?
The IUPAC name of 3-methylbutyl 2-tripropylsilyloxypropanoate (CID 71387959) is 3-methylbutyl 2-tripropylsilyloxypropanoate.
What is the SMILES notation for 3-methylbutyl 2-tripropylsilyloxypropanoate?
The canonical SMILES for 3-methylbutyl 2-tripropylsilyloxypropanoate is CCC[Si](CCC)(CCC)OC(C)C(=O)OCCC(C)C.
What is the InChIKey of 3-methylbutyl 2-tripropylsilyloxypropanoate?
The InChIKey is ZWWCICYGUDSMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-7-12-21(13-8-2,14-9-3)20-16(6)17(18)19-11-10-15(4)5/h15-16H,7-14H2,1-6H3.
What are the key properties of 3-methylbutyl 2-tripropylsilyloxypropanoate?
3-methylbutyl 2-tripropylsilyloxypropanoate has a molecular weight of 316.56 g/mol, XLogP of 5.16, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-tripropylsilyloxypropanoate is sourced from PubChem (CID 71387959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).