1,3,5,7,9,11-Hexaethyl-1-chlorocyclohexasiloxane

C12H30ClO6Si6 — CID 6330011

IUPAC—
SMILESCC[Si]1O[Si](CC)O[Si](CC)O[Si](Cl)(CC)O[Si](CC)O[Si](CC)O1
InChIInChI=1S/C12H30ClO6Si6/c1-7-20-14-21(8-2)16-23(10-4)18-25(13,12-6)19-24(11-5)17-22(9-3)15-20/h7-12H2,1-6H3
InChIKeyLBDINMLCLPDPQP-UHFFFAOYSA-N
MW474.34 g/mol
LogP3.84
Rot. Bonds6

About 1,3,5,7,9,11-Hexaethyl-1-chlorocyclohexasiloxane

1,3,5,7,9,11-Hexaethyl-1-chlorocyclohexasiloxane (PubChem CID 6330011) has the molecular formula C12H30ClO6Si6 and a molecular weight of 474.34 g/mol.

Molecular Properties

Compound Name1,3,5,7,9,11-Hexaethyl-1-chlorocyclohexasiloxane
PubChem CID6330011
Molecular FormulaC12H30ClO6Si6
Molecular Weight474.34 g/mol
Exact Mass473.03
IUPAC Name—
SMILESCC[Si]1O[Si](CC)O[Si](CC)O[Si](Cl)(CC)O[Si](CC)O[Si](CC)O1
InChIInChI=1S/C12H30ClO6Si6/c1-7-20-14-21(8-2)16-23(10-4)18-25(13,12-6)19-24(11-5)17-22(9-3)15-20/h7-12H2,1-6H3
InChIKeyLBDINMLCLPDPQP-UHFFFAOYSA-N
XLogP3.84
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1,3,5,7,9,11-Hexaethyl-1-chlorocyclohexasiloxane?
The IUPAC name of 1,3,5,7,9,11-Hexaethyl-1-chlorocyclohexasiloxane (CID 6330011) is not available.
What is the SMILES notation for 1,3,5,7,9,11-Hexaethyl-1-chlorocyclohexasiloxane?
The canonical SMILES for 1,3,5,7,9,11-Hexaethyl-1-chlorocyclohexasiloxane is CC[Si]1O[Si](CC)O[Si](CC)O[Si](Cl)(CC)O[Si](CC)O[Si](CC)O1.
What is the InChIKey of 1,3,5,7,9,11-Hexaethyl-1-chlorocyclohexasiloxane?
The InChIKey is LBDINMLCLPDPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30ClO6Si6/c1-7-20-14-21(8-2)16-23(10-4)18-25(13,12-6)19-24(11-5)17-22(9-3)15-20/h7-12H2,1-6H3.
What are the key properties of 1,3,5,7,9,11-Hexaethyl-1-chlorocyclohexasiloxane?
1,3,5,7,9,11-Hexaethyl-1-chlorocyclohexasiloxane has a molecular weight of 474.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11-Hexaethyl-1-chlorocyclohexasiloxane is sourced from PubChem (CID 6330011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).