tripropylsilyl pentanoate

C14H30O2Si — CID 611964

IUPACtripropylsilyl pentanoate
SMILESCCCCC(=O)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C14H30O2Si/c1-5-9-10-14(15)16-17(11-6-2,12-7-3)13-8-4/h5-13H2,1-4H3
InChIKeySTHHZQWBCBNPFK-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.90
Rot. Bonds10

About tripropylsilyl pentanoate

tripropylsilyl pentanoate (PubChem CID 611964) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is tripropylsilyl pentanoate.

Molecular Properties

Compound Nametripropylsilyl pentanoate
PubChem CID611964
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Nametripropylsilyl pentanoate
SMILESCCCCC(=O)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C14H30O2Si/c1-5-9-10-14(15)16-17(11-6-2,12-7-3)13-8-4/h5-13H2,1-4H3
InChIKeySTHHZQWBCBNPFK-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.90
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 tripropylsilyl pentanoate?
The IUPAC name of tripropylsilyl pentanoate (CID 611964) is tripropylsilyl pentanoate.
What is the SMILES notation for tripropylsilyl pentanoate?
The canonical SMILES for tripropylsilyl pentanoate is CCCCC(=O)O[Si](CCC)(CCC)CCC.
What is the InChIKey of tripropylsilyl pentanoate?
The InChIKey is STHHZQWBCBNPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-5-9-10-14(15)16-17(11-6-2,12-7-3)13-8-4/h5-13H2,1-4H3.
What are the key properties of tripropylsilyl pentanoate?
tripropylsilyl pentanoate has a molecular weight of 258.48 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tripropylsilyl pentanoate is sourced from PubChem (CID 611964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).