2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

C20H50Cl2O6Si6 — CID 14363073

IUPAC2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESCC[Si]1(Cl)O[Si](CC)(CC)O[Si](CC)(CC)O[Si](Cl)(CC)O[Si](CC)(CC)O[Si](CC)(CC)O1
InChIInChI=1S/C20H50Cl2O6Si6/c1-11-29(12-2)23-30(13-3,14-4)26-34(22,20-10)28-32(17-7,18-8)24-31(15-5,16-6)27-33(21,19-9)25-29/h11-20H2,1-10H3
InChIKeyIXVDTSVSBDPYPO-UHFFFAOYSA-N
MW626.04 g/mol
LogP8.42
Rot. Bonds10

About 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (PubChem CID 14363073) has the molecular formula C20H50Cl2O6Si6 and a molecular weight of 626.04 g/mol. Its IUPAC name is 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.

Molecular Properties

Compound Name2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
PubChem CID14363073
Molecular FormulaC20H50Cl2O6Si6
Molecular Weight626.04 g/mol
Exact Mass624.16
IUPAC Name2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESCC[Si]1(Cl)O[Si](CC)(CC)O[Si](CC)(CC)O[Si](Cl)(CC)O[Si](CC)(CC)O[Si](CC)(CC)O1
InChIInChI=1S/C20H50Cl2O6Si6/c1-11-29(12-2)23-30(13-3,14-4)26-34(22,20-10)28-32(17-7,18-8)24-31(15-5,16-6)27-33(21,19-9)25-29/h11-20H2,1-10H3
InChIKeyIXVDTSVSBDPYPO-UHFFFAOYSA-N
XLogP8.42
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.04
LogP ≤ 58.42
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'}

Analyze 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The IUPAC name of 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane (CID 14363073) is 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane.
What is the SMILES notation for 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The canonical SMILES for 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is CC[Si]1(Cl)O[Si](CC)(CC)O[Si](CC)(CC)O[Si](Cl)(CC)O[Si](CC)(CC)O[Si](CC)(CC)O1.
What is the InChIKey of 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The InChIKey is IXVDTSVSBDPYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H50Cl2O6Si6/c1-11-29(12-2)23-30(13-3,14-4)26-34(22,20-10)28-32(17-7,18-8)24-31(15-5,16-6)27-33(21,19-9)25-29/h11-20H2,1-10H3.
What are the key properties of 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane?
2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane has a molecular weight of 626.04 g/mol, XLogP of 8.42, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decaethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane is sourced from PubChem (CID 14363073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).