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

C6H17ClO3Si3 — CID 175167484

IUPAC2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCCCl)O1
InChIInChI=1S/C6H17ClO3Si3/c1-11-8-12(2)10-13(3,9-11)6-4-5-7/h11-12H,4-6H2,1-3H3
InChIKeyWCPACDKSODQTGP-UHFFFAOYSA-N
MW256.91 g/mol
LogP1.45
Rot. Bonds3

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

2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 175167484) has the molecular formula C6H17ClO3Si3 and a molecular weight of 256.91 g/mol. Its IUPAC name is 2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
PubChem CID175167484
Molecular FormulaC6H17ClO3Si3
Molecular Weight256.91 g/mol
Exact Mass256.02
IUPAC Name2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCCCl)O1
InChIInChI=1S/C6H17ClO3Si3/c1-11-8-12(2)10-13(3,9-11)6-4-5-7/h11-12H,4-6H2,1-3H3
InChIKeyWCPACDKSODQTGP-UHFFFAOYSA-N
XLogP1.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.91
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane (CID 175167484) is 2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane is C[SiH]1O[SiH](C)O[Si](C)(CCCCl)O1.
What is the InChIKey of 2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is WCPACDKSODQTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17ClO3Si3/c1-11-8-12(2)10-13(3,9-11)6-4-5-7/h11-12H,4-6H2,1-3H3.
What are the key properties of 2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane?
2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 256.91 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 175167484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).