tri(propan-2-yl)silyl propanoate

C12H26O2Si — CID 604389

IUPACtri(propan-2-yl)silyl propanoate
SMILESCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-8-12(13)14-15(9(2)3,10(4)5)11(6)7/h9-11H,8H2,1-7H3
InChIKeyPIXFROWXFPQAOO-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.12
Rot. Bonds5

About tri(propan-2-yl)silyl propanoate

tri(propan-2-yl)silyl propanoate (PubChem CID 604389) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is tri(propan-2-yl)silyl propanoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl propanoate
PubChem CID604389
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nametri(propan-2-yl)silyl propanoate
SMILESCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-8-12(13)14-15(9(2)3,10(4)5)11(6)7/h9-11H,8H2,1-7H3
InChIKeyPIXFROWXFPQAOO-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.12
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 propanoate?
The IUPAC name of tri(propan-2-yl)silyl propanoate (CID 604389) is tri(propan-2-yl)silyl propanoate.
What is the SMILES notation for tri(propan-2-yl)silyl propanoate?
The canonical SMILES for tri(propan-2-yl)silyl propanoate is CCC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl propanoate?
The InChIKey is PIXFROWXFPQAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-12(13)14-15(9(2)3,10(4)5)11(6)7/h9-11H,8H2,1-7H3.
What are the key properties of tri(propan-2-yl)silyl propanoate?
tri(propan-2-yl)silyl propanoate has a molecular weight of 230.42 g/mol, XLogP of 4.12, 5 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 propanoate is sourced from PubChem (CID 604389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).