2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C7H21ClO4Si4 — CID 12534293

IUPAC2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(Cl)O[Si](C)(C)O1
InChIInChI=1S/C7H21ClO4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-7H3
InChIKeyZKXOYZASYSBSJW-UHFFFAOYSA-N
MW317.04 g/mol
LogP2.98
Rot. Bonds

About 2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 12534293) has the molecular formula C7H21ClO4Si4 and a molecular weight of 317.04 g/mol. Its IUPAC name is 2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID12534293
Molecular FormulaC7H21ClO4Si4
Molecular Weight317.04 g/mol
Exact Mass316.02
IUPAC Name2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(Cl)O[Si](C)(C)O1
InChIInChI=1S/C7H21ClO4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-7H3
InChIKeyZKXOYZASYSBSJW-UHFFFAOYSA-N
XLogP2.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.04
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 12534293) is 2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[Si]1(C)O[Si](C)(C)O[Si](C)(Cl)O[Si](C)(C)O1.
What is the InChIKey of 2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is ZKXOYZASYSBSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H21ClO4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-7H3.
What are the key properties of 2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 317.04 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 12534293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).