5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane

C8H22O3Si4 — CID 173447898

IUPAC5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane
SMILESC=CC[Si]1(OOC(C)(C)C)CO[SiH2][SiH2][SiH2]1
InChIInChI=1S/C8H22O3Si4/c1-5-6-15(7-9-12-13-14-15)11-10-8(2,3)4/h5H,1,6-7,12-14H2,2-4H3
InChIKeyXOTGFLFMSNQTQO-UHFFFAOYSA-N
MW278.61 g/mol
LogP-0.82
Rot. Bonds4

About 5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane

5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane (PubChem CID 173447898) has the molecular formula C8H22O3Si4 and a molecular weight of 278.61 g/mol. Its IUPAC name is 5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane.

Molecular Properties

Compound Name5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane
PubChem CID173447898
Molecular FormulaC8H22O3Si4
Molecular Weight278.61 g/mol
Exact Mass278.06
IUPAC Name5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane
SMILESC=CC[Si]1(OOC(C)(C)C)CO[SiH2][SiH2][SiH2]1
InChIInChI=1S/C8H22O3Si4/c1-5-6-15(7-9-12-13-14-15)11-10-8(2,3)4/h5H,1,6-7,12-14H2,2-4H3
InChIKeyXOTGFLFMSNQTQO-UHFFFAOYSA-N
XLogP-0.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.61
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane?
The IUPAC name of 5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane (CID 173447898) is 5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane.
What is the SMILES notation for 5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane?
The canonical SMILES for 5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane is C=CC[Si]1(OOC(C)(C)C)CO[SiH2][SiH2][SiH2]1.
What is the InChIKey of 5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane?
The InChIKey is XOTGFLFMSNQTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22O3Si4/c1-5-6-15(7-9-12-13-14-15)11-10-8(2,3)4/h5H,1,6-7,12-14H2,2-4H3.
What are the key properties of 5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane?
5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane has a molecular weight of 278.61 g/mol, XLogP of -0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylperoxy-5-prop-2-enyloxatetrasilinane is sourced from PubChem (CID 173447898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).