tri(propan-2-yl)silyl pentanoate

C14H30O2Si — CID 611951

IUPACtri(propan-2-yl)silyl pentanoate
SMILESCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-8-9-10-14(15)16-17(11(2)3,12(4)5)13(6)7/h11-13H,8-10H2,1-7H3
InChIKeyGYYBWOJETOYFJK-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.90
Rot. Bonds7

About tri(propan-2-yl)silyl pentanoate

tri(propan-2-yl)silyl pentanoate (PubChem CID 611951) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is tri(propan-2-yl)silyl pentanoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl pentanoate
PubChem CID611951
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Nametri(propan-2-yl)silyl pentanoate
SMILESCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-8-9-10-14(15)16-17(11(2)3,12(4)5)13(6)7/h11-13H,8-10H2,1-7H3
InChIKeyGYYBWOJETOYFJK-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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 tri(propan-2-yl)silyl pentanoate?
The IUPAC name of tri(propan-2-yl)silyl pentanoate (CID 611951) is tri(propan-2-yl)silyl pentanoate.
What is the SMILES notation for tri(propan-2-yl)silyl pentanoate?
The canonical SMILES for tri(propan-2-yl)silyl pentanoate is CCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl pentanoate?
The InChIKey is GYYBWOJETOYFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-9-10-14(15)16-17(11(2)3,12(4)5)13(6)7/h11-13H,8-10H2,1-7H3.
What are the key properties of tri(propan-2-yl)silyl pentanoate?
tri(propan-2-yl)silyl pentanoate has a molecular weight of 258.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl pentanoate is sourced from PubChem (CID 611951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).