2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane

C6H15Cl3O3Si3 — CID 150465628

IUPAC2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCC(Cl)(Cl)Cl)O1
InChIInChI=1S/C6H15Cl3O3Si3/c1-13-10-14(2)12-15(3,11-13)5-4-6(7,8)9/h13-14H,4-5H2,1-3H3
InChIKeyHQRZBQSZSBSPNJ-UHFFFAOYSA-N
MW325.80 g/mol
LogP2.58
Rot. Bonds2

About 2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane

2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 150465628) has the molecular formula C6H15Cl3O3Si3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane
PubChem CID150465628
Molecular FormulaC6H15Cl3O3Si3
Molecular Weight325.80 g/mol
Exact Mass323.94
IUPAC Name2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCC(Cl)(Cl)Cl)O1
InChIInChI=1S/C6H15Cl3O3Si3/c1-13-10-14(2)12-15(3,11-13)5-4-6(7,8)9/h13-14H,4-5H2,1-3H3
InChIKeyHQRZBQSZSBSPNJ-UHFFFAOYSA-N
XLogP2.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 52.58
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

2,4,6,8-tetramethyl-2-(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 154128105
2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
CID 175167484
2-ethyl-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
CID 151551025
2,4,6,8-tetramethyl-2,6-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 123389963
2,4,6,8,10-pentamethyl-2-octadecyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 123929311
2-(3-methoxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 59622480
2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 162030705
2,2,4,6,8,10-hexamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 176847521
2-chloro-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 154027680
1-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethoxy]propan-2-ol
CID 123280825
diphenyl-[2-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]phosphane
CID 151790292
2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 58802956

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane (CID 150465628) is 2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane is C[SiH]1O[SiH](C)O[Si](C)(CCC(Cl)(Cl)Cl)O1.
What is the InChIKey of 2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is HQRZBQSZSBSPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15Cl3O3Si3/c1-13-10-14(2)12-15(3,11-13)5-4-6(7,8)9/h13-14H,4-5H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane?
2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 325.80 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 150465628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).