[6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane

C12H22Cl6O4Si — CID 141248315

IUPAC[6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane
SMILESO[Si](O)(O)OCCC(CCC(Cl)Cl)(CCC(Cl)Cl)CCC(Cl)Cl
InChIInChI=1S/C12H22Cl6O4Si/c13-9(14)1-4-12(5-2-10(15)16,6-3-11(17)18)7-8-22-23(19,20)21/h9-11,19-21H,1-8H2
InChIKeyQMRPVDFWMDKVHU-UHFFFAOYSA-N
MW471.11 g/mol
LogP4.54
Rot. Bonds13

About [6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane

[6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane (PubChem CID 141248315) has the molecular formula C12H22Cl6O4Si and a molecular weight of 471.11 g/mol. Its IUPAC name is [6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane.

Molecular Properties

Compound Name[6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane
PubChem CID141248315
Molecular FormulaC12H22Cl6O4Si
Molecular Weight471.11 g/mol
Exact Mass467.94
IUPAC Name[6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane
SMILESO[Si](O)(O)OCCC(CCC(Cl)Cl)(CCC(Cl)Cl)CCC(Cl)Cl
InChIInChI=1S/C12H22Cl6O4Si/c13-9(14)1-4-12(5-2-10(15)16,6-3-11(17)18)7-8-22-23(19,20)21/h9-11,19-21H,1-8H2
InChIKeyQMRPVDFWMDKVHU-UHFFFAOYSA-N
XLogP4.54
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.11
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 [6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane?
The IUPAC name of [6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane (CID 141248315) is [6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane.
What is the SMILES notation for [6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane?
The canonical SMILES for [6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane is O[Si](O)(O)OCCC(CCC(Cl)Cl)(CCC(Cl)Cl)CCC(Cl)Cl.
What is the InChIKey of [6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane?
The InChIKey is QMRPVDFWMDKVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl6O4Si/c13-9(14)1-4-12(5-2-10(15)16,6-3-11(17)18)7-8-22-23(19,20)21/h9-11,19-21H,1-8H2.
What are the key properties of [6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane?
[6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane has a molecular weight of 471.11 g/mol, XLogP of 4.54, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dichloro-3,3-bis(3,3-dichloropropyl)hexoxy]-trihydroxysilane is sourced from PubChem (CID 141248315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).