2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane

C8H16Cl6O3Si3 — CID 173356019

IUPAC2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane
SMILESCC[SiH]1O[SiH2]O[SiH2]O1.ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
InChIInChI=1S/C6H6Cl6.C2H10O3Si3/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-2-8-4-6-3-7-5-8/h1-6H;8H,2,6-7H2,1H3
InChIKeySIWWNICBQJHCEO-UHFFFAOYSA-N
MW457.19 g/mol
LogP1.93
Rot. Bonds1

About 2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane

2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane (PubChem CID 173356019) has the molecular formula C8H16Cl6O3Si3 and a molecular weight of 457.19 g/mol. Its IUPAC name is 2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane.

Molecular Properties

Compound Name2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane
PubChem CID173356019
Molecular FormulaC8H16Cl6O3Si3
Molecular Weight457.19 g/mol
Exact Mass453.85
IUPAC Name2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane
SMILESCC[SiH]1O[SiH2]O[SiH2]O1.ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
InChIInChI=1S/C6H6Cl6.C2H10O3Si3/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-2-8-4-6-3-7-5-8/h1-6H;8H,2,6-7H2,1H3
InChIKeySIWWNICBQJHCEO-UHFFFAOYSA-N
XLogP1.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
CID 154432474
2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane
CID 151575691
2-butoxy-1,3,5,2,4,6-trioxatrisilinane
CID 154116500
2-hydroxy-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 154119070
1,2,3,4,5,6-hexachlorocyclohexane;iron
CID 87747584
1,2,3,4,5,6-hexachlorocyclohexane;rhenium
CID 88652983
2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 158341634
3-chloro-2-ethyl-2-methyloxolane
CID 13494584
tert-butyl-methyl-propan-2-yl-(1,3,5,2,4,6-trioxatrisilinan-2-yloxy)silane
CID 173047444
butan-2-ylpentasilolane
CID 175308763
3-butan-2-yl-1,2,4,3,5-trioxadisilolane
CID 174760038
1,2,3,4,5-pentachloro-6-methylcyclohexane
CID 23273625

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane?
The IUPAC name of 2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane (CID 173356019) is 2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane.
What is the SMILES notation for 2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane?
The canonical SMILES for 2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane is CC[SiH]1O[SiH2]O[SiH2]O1.ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.
What is the InChIKey of 2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane?
The InChIKey is SIWWNICBQJHCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6.C2H10O3Si3/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-2-8-4-6-3-7-5-8/h1-6H;8H,2,6-7H2,1H3.
What are the key properties of 2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane?
2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane has a molecular weight of 457.19 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3,5,2,4,6-trioxatrisilinane;1,2,3,4,5,6-hexachlorocyclohexane is sourced from PubChem (CID 173356019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).