2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane

C16H32Cl2OSi — CID 18959108

IUPAC2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane
SMILESCC(C)C1(C(C)C)CC[Si](Cl)(Cl)OC1(C(C)C)C(C)C
InChIInChI=1S/C16H32Cl2OSi/c1-11(2)15(12(3)4)9-10-20(17,18)19-16(15,13(5)6)14(7)8/h11-14H,9-10H2,1-8H3
InChIKeyZQEZHIMJGPMGOI-UHFFFAOYSA-N
MW339.42 g/mol
LogP6.17
Rot. Bonds4

About 2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane

2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane (PubChem CID 18959108) has the molecular formula C16H32Cl2OSi and a molecular weight of 339.42 g/mol. Its IUPAC name is 2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane.

Molecular Properties

Compound Name2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane
PubChem CID18959108
Molecular FormulaC16H32Cl2OSi
Molecular Weight339.42 g/mol
Exact Mass338.16
IUPAC Name2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane
SMILESCC(C)C1(C(C)C)CC[Si](Cl)(Cl)OC1(C(C)C)C(C)C
InChIInChI=1S/C16H32Cl2OSi/c1-11(2)15(12(3)4)9-10-20(17,18)19-16(15,13(5)6)14(7)8/h11-14H,9-10H2,1-8H3
InChIKeyZQEZHIMJGPMGOI-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.42
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane?
The IUPAC name of 2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane (CID 18959108) is 2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane.
What is the SMILES notation for 2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane?
The canonical SMILES for 2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane is CC(C)C1(C(C)C)CC[Si](Cl)(Cl)OC1(C(C)C)C(C)C.
What is the InChIKey of 2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane?
The InChIKey is ZQEZHIMJGPMGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32Cl2OSi/c1-11(2)15(12(3)4)9-10-20(17,18)19-16(15,13(5)6)14(7)8/h11-14H,9-10H2,1-8H3.
What are the key properties of 2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane?
2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane has a molecular weight of 339.42 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-5,5,6,6-tetra(propan-2-yl)oxasilinane is sourced from PubChem (CID 18959108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).