[8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane

C12H25Cl3O4Si — CID 141248332

IUPAC[8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane
SMILESO[Si](O)(O)OCCCCCC(CCCl)(CCCl)CCCl
InChIInChI=1S/C12H25Cl3O4Si/c13-8-5-12(6-9-14,7-10-15)4-2-1-3-11-19-20(16,17)18/h16-18H,1-11H2
InChIKeyWYRMZHLZWPEHCH-UHFFFAOYSA-N
MW367.77 g/mol
LogP2.85
Rot. Bonds13

About [8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane

[8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane (PubChem CID 141248332) has the molecular formula C12H25Cl3O4Si and a molecular weight of 367.77 g/mol. Its IUPAC name is [8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane.

Molecular Properties

Compound Name[8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane
PubChem CID141248332
Molecular FormulaC12H25Cl3O4Si
Molecular Weight367.77 g/mol
Exact Mass366.06
IUPAC Name[8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane
SMILESO[Si](O)(O)OCCCCCC(CCCl)(CCCl)CCCl
InChIInChI=1S/C12H25Cl3O4Si/c13-8-5-12(6-9-14,7-10-15)4-2-1-3-11-19-20(16,17)18/h16-18H,1-11H2
InChIKeyWYRMZHLZWPEHCH-UHFFFAOYSA-N
XLogP2.85
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane?
The IUPAC name of [8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane (CID 141248332) is [8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane.
What is the SMILES notation for [8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane?
The canonical SMILES for [8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane is O[Si](O)(O)OCCCCCC(CCCl)(CCCl)CCCl.
What is the InChIKey of [8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane?
The InChIKey is WYRMZHLZWPEHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Cl3O4Si/c13-8-5-12(6-9-14,7-10-15)4-2-1-3-11-19-20(16,17)18/h16-18H,1-11H2.
What are the key properties of [8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane?
[8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane has a molecular weight of 367.77 g/mol, XLogP of 2.85, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-6,6-bis(2-chloroethyl)octoxy]-trihydroxysilane is sourced from PubChem (CID 141248332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).