tritert-butyl propan-2-yl silicate

C15H34O4Si — CID 20515593

IUPACtritert-butyl propan-2-yl silicate
SMILESCC(C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C15H34O4Si/c1-12(2)16-20(17-13(3,4)5,18-14(6,7)8)19-15(9,10)11/h12H,1-11H3
InChIKeyFHRHYVDIFNJFPT-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.29
Rot. Bonds5

About tritert-butyl propan-2-yl silicate

tritert-butyl propan-2-yl silicate (PubChem CID 20515593) has the molecular formula C15H34O4Si and a molecular weight of 306.52 g/mol. Its IUPAC name is tritert-butyl propan-2-yl silicate.

Molecular Properties

Compound Nametritert-butyl propan-2-yl silicate
PubChem CID20515593
Molecular FormulaC15H34O4Si
Molecular Weight306.52 g/mol
Exact Mass306.22
IUPAC Nametritert-butyl propan-2-yl silicate
SMILESCC(C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C15H34O4Si/c1-12(2)16-20(17-13(3,4)5,18-14(6,7)8)19-15(9,10)11/h12H,1-11H3
InChIKeyFHRHYVDIFNJFPT-UHFFFAOYSA-N
XLogP4.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tritert-butyl propan-2-yl silicate?
The IUPAC name of tritert-butyl propan-2-yl silicate (CID 20515593) is tritert-butyl propan-2-yl silicate.
What is the SMILES notation for tritert-butyl propan-2-yl silicate?
The canonical SMILES for tritert-butyl propan-2-yl silicate is CC(C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of tritert-butyl propan-2-yl silicate?
The InChIKey is FHRHYVDIFNJFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O4Si/c1-12(2)16-20(17-13(3,4)5,18-14(6,7)8)19-15(9,10)11/h12H,1-11H3.
What are the key properties of tritert-butyl propan-2-yl silicate?
tritert-butyl propan-2-yl silicate has a molecular weight of 306.52 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl propan-2-yl silicate is sourced from PubChem (CID 20515593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).