trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane

C15H21Cl9Si3 — CID 57374289

IUPACtrichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane
SMILESCc1c(CC[Si](Cl)(Cl)Cl)c(C)c(CC[Si](Cl)(Cl)Cl)c(C)c1CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C15H21Cl9Si3/c1-10-13(4-7-25(16,17)18)11(2)15(6-9-27(22,23)24)12(3)14(10)5-8-26(19,20)21/h4-9H2,1-3H3
InChIKeyDHYVUHLZJNMXTN-UHFFFAOYSA-N
MW604.67 g/mol
LogP9.21
Rot. Bonds9

About trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane

trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane (PubChem CID 57374289) has the molecular formula C15H21Cl9Si3 and a molecular weight of 604.67 g/mol. Its IUPAC name is trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane.

Molecular Properties

Compound Nametrichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane
PubChem CID57374289
Molecular FormulaC15H21Cl9Si3
Molecular Weight604.67 g/mol
Exact Mass599.81
IUPAC Nametrichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane
SMILESCc1c(CC[Si](Cl)(Cl)Cl)c(C)c(CC[Si](Cl)(Cl)Cl)c(C)c1CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C15H21Cl9Si3/c1-10-13(4-7-25(16,17)18)11(2)15(6-9-27(22,23)24)12(3)14(10)5-8-26(19,20)21/h4-9H2,1-3H3
InChIKeyDHYVUHLZJNMXTN-UHFFFAOYSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.67
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane?
The IUPAC name of trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane (CID 57374289) is trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane.
What is the SMILES notation for trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane?
The canonical SMILES for trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane is Cc1c(CC[Si](Cl)(Cl)Cl)c(C)c(CC[Si](Cl)(Cl)Cl)c(C)c1CC[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane?
The InChIKey is DHYVUHLZJNMXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl9Si3/c1-10-13(4-7-25(16,17)18)11(2)15(6-9-27(22,23)24)12(3)14(10)5-8-26(19,20)21/h4-9H2,1-3H3.
What are the key properties of trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane?
trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane has a molecular weight of 604.67 g/mol, XLogP of 9.21, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane is sourced from PubChem (CID 57374289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).