tri(propan-2-yl)silyl butanoate

C13H28O2Si — CID 608410

IUPACtri(propan-2-yl)silyl butanoate
SMILESCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-8-9-13(14)15-16(10(2)3,11(4)5)12(6)7/h10-12H,8-9H2,1-7H3
InChIKeyPNUPKFHXLRUVDP-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.51
Rot. Bonds6

About tri(propan-2-yl)silyl butanoate

tri(propan-2-yl)silyl butanoate (PubChem CID 608410) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is tri(propan-2-yl)silyl butanoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl butanoate
PubChem CID608410
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Nametri(propan-2-yl)silyl butanoate
SMILESCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-8-9-13(14)15-16(10(2)3,11(4)5)12(6)7/h10-12H,8-9H2,1-7H3
InChIKeyPNUPKFHXLRUVDP-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tri(propan-2-yl)silyl butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl butanoate?
The IUPAC name of tri(propan-2-yl)silyl butanoate (CID 608410) is tri(propan-2-yl)silyl butanoate.
What is the SMILES notation for tri(propan-2-yl)silyl butanoate?
The canonical SMILES for tri(propan-2-yl)silyl butanoate is CCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl butanoate?
The InChIKey is PNUPKFHXLRUVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-9-13(14)15-16(10(2)3,11(4)5)12(6)7/h10-12H,8-9H2,1-7H3.
What are the key properties of tri(propan-2-yl)silyl butanoate?
tri(propan-2-yl)silyl butanoate has a molecular weight of 244.45 g/mol, XLogP of 4.51, 6 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 butanoate is sourced from PubChem (CID 608410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).