tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane

C38H84O12Si4 — CID 139812702

IUPACtris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane
SMILESC=C[Si]([Si](OOC(C)CC)(OC(C)CC)OC(C)CC)([Si](OOC(C)CC)(OC(C)CC)OC(C)CC)[Si](OOC(C)CC)(OC(C)CC)OC(C)CC
InChIInChI=1S/C38H84O12Si4/c1-20-30(11)39-48-52(42-33(14)23-4,43-34(15)24-5)51(29-10,53(44-35(16)25-6,45-36(17)26-7)49-40-31(12)21-2)54(46-37(18)27-8,47-38(19)28-9)50-41-32(13)22-3/h29-38H,10,20-28H2,1-9,11-19H3
InChIKeyAPUMPNYNBWXRNW-UHFFFAOYSA-N
MW845.42 g/mol
LogP10.34
Rot. Bonds34

About tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane

tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane (PubChem CID 139812702) has the molecular formula C38H84O12Si4 and a molecular weight of 845.42 g/mol. Its IUPAC name is tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane.

Molecular Properties

Compound Nametris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane
PubChem CID139812702
Molecular FormulaC38H84O12Si4
Molecular Weight845.42 g/mol
Exact Mass844.50
IUPAC Nametris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane
SMILESC=C[Si]([Si](OOC(C)CC)(OC(C)CC)OC(C)CC)([Si](OOC(C)CC)(OC(C)CC)OC(C)CC)[Si](OOC(C)CC)(OC(C)CC)OC(C)CC
InChIInChI=1S/C38H84O12Si4/c1-20-30(11)39-48-52(42-33(14)23-4,43-34(15)24-5)51(29-10,53(44-35(16)25-6,45-36(17)26-7)49-40-31(12)21-2)54(46-37(18)27-8,47-38(19)28-9)50-41-32(13)22-3/h29-38H,10,20-28H2,1-9,11-19H3
InChIKeyAPUMPNYNBWXRNW-UHFFFAOYSA-N
XLogP10.34
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500845.42
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane?
The IUPAC name of tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane (CID 139812702) is tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane.
What is the SMILES notation for tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane?
The canonical SMILES for tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane is C=C[Si]([Si](OOC(C)CC)(OC(C)CC)OC(C)CC)([Si](OOC(C)CC)(OC(C)CC)OC(C)CC)[Si](OOC(C)CC)(OC(C)CC)OC(C)CC.
What is the InChIKey of tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane?
The InChIKey is APUMPNYNBWXRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H84O12Si4/c1-20-30(11)39-48-52(42-33(14)23-4,43-34(15)24-5)51(29-10,53(44-35(16)25-6,45-36(17)26-7)49-40-31(12)21-2)54(46-37(18)27-8,47-38(19)28-9)50-41-32(13)22-3/h29-38H,10,20-28H2,1-9,11-19H3.
What are the key properties of tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane?
tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane has a molecular weight of 845.42 g/mol, XLogP of 10.34, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris[di(butan-2-yloxy)-butan-2-ylperoxysilyl]-ethenylsilane is sourced from PubChem (CID 139812702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).