3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane

C18H32Cl2Si2 — CID 155761040

IUPAC3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane
SMILESC[Si](C)(C)CCCc1cc(Cl)c(Cl)cc1CCC[Si](C)(C)C
InChIInChI=1S/C18H32Cl2Si2/c1-21(2,3)11-7-9-15-13-17(19)18(20)14-16(15)10-8-12-22(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyVHQJMEUSKPTMLZ-UHFFFAOYSA-N
MW375.53 g/mol
LogP7.53
Rot. Bonds8

About 3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane

3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane (PubChem CID 155761040) has the molecular formula C18H32Cl2Si2 and a molecular weight of 375.53 g/mol. Its IUPAC name is 3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane.

Molecular Properties

Compound Name3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane
PubChem CID155761040
Molecular FormulaC18H32Cl2Si2
Molecular Weight375.53 g/mol
Exact Mass374.14
IUPAC Name3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane
SMILESC[Si](C)(C)CCCc1cc(Cl)c(Cl)cc1CCC[Si](C)(C)C
InChIInChI=1S/C18H32Cl2Si2/c1-21(2,3)11-7-9-15-13-17(19)18(20)14-16(15)10-8-12-22(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyVHQJMEUSKPTMLZ-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.53
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane?
The IUPAC name of 3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane (CID 155761040) is 3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane.
What is the SMILES notation for 3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane?
The canonical SMILES for 3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane is C[Si](C)(C)CCCc1cc(Cl)c(Cl)cc1CCC[Si](C)(C)C.
What is the InChIKey of 3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane?
The InChIKey is VHQJMEUSKPTMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32Cl2Si2/c1-21(2,3)11-7-9-15-13-17(19)18(20)14-16(15)10-8-12-22(4,5)6/h13-14H,7-12H2,1-6H3.
What are the key properties of 3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane?
3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane has a molecular weight of 375.53 g/mol, XLogP of 7.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-dichloro-2-(3-trimethylsilylpropyl)phenyl]propyl-trimethylsilane is sourced from PubChem (CID 155761040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).