2,2-dichloro-6,6-diethoxyoxasilinane

C8H16Cl2O3Si — CID 66904914

IUPAC2,2-dichloro-6,6-diethoxyoxasilinane
SMILESCCOC1(OCC)CCC[Si](Cl)(Cl)O1
InChIInChI=1S/C8H16Cl2O3Si/c1-3-11-8(12-4-2)6-5-7-14(9,10)13-8/h3-7H2,1-2H3
InChIKeyZLDKJWDUZDGQND-UHFFFAOYSA-N
MW259.20 g/mol
LogP2.94
Rot. Bonds4

About 2,2-dichloro-6,6-diethoxyoxasilinane

2,2-dichloro-6,6-diethoxyoxasilinane (PubChem CID 66904914) has the molecular formula C8H16Cl2O3Si and a molecular weight of 259.20 g/mol. Its IUPAC name is 2,2-dichloro-6,6-diethoxyoxasilinane.

Molecular Properties

Compound Name2,2-dichloro-6,6-diethoxyoxasilinane
PubChem CID66904914
Molecular FormulaC8H16Cl2O3Si
Molecular Weight259.20 g/mol
Exact Mass258.02
IUPAC Name2,2-dichloro-6,6-diethoxyoxasilinane
SMILESCCOC1(OCC)CCC[Si](Cl)(Cl)O1
InChIInChI=1S/C8H16Cl2O3Si/c1-3-11-8(12-4-2)6-5-7-14(9,10)13-8/h3-7H2,1-2H3
InChIKeyZLDKJWDUZDGQND-UHFFFAOYSA-N
XLogP2.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-6,6-diethoxyoxasilinane?
The IUPAC name of 2,2-dichloro-6,6-diethoxyoxasilinane (CID 66904914) is 2,2-dichloro-6,6-diethoxyoxasilinane.
What is the SMILES notation for 2,2-dichloro-6,6-diethoxyoxasilinane?
The canonical SMILES for 2,2-dichloro-6,6-diethoxyoxasilinane is CCOC1(OCC)CCC[Si](Cl)(Cl)O1.
What is the InChIKey of 2,2-dichloro-6,6-diethoxyoxasilinane?
The InChIKey is ZLDKJWDUZDGQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2O3Si/c1-3-11-8(12-4-2)6-5-7-14(9,10)13-8/h3-7H2,1-2H3.
What are the key properties of 2,2-dichloro-6,6-diethoxyoxasilinane?
2,2-dichloro-6,6-diethoxyoxasilinane has a molecular weight of 259.20 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-6,6-diethoxyoxasilinane is sourced from PubChem (CID 66904914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).