chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane

C17H31ClO2Si2 — CID 123328360

IUPACchloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane
SMILESC[Si](C)(C)CCCOc1ccc(OCCC[Si](C)(C)Cl)cc1
InChIInChI=1S/C17H31ClO2Si2/c1-21(2,3)14-6-12-19-16-8-10-17(11-9-16)20-13-7-15-22(4,5)18/h8-11H,6-7,12-15H2,1-5H3
InChIKeyQHMGRGYQCQVEHQ-UHFFFAOYSA-N
MW359.06 g/mol
LogP6.01
Rot. Bonds10

About chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane

chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane (PubChem CID 123328360) has the molecular formula C17H31ClO2Si2 and a molecular weight of 359.06 g/mol. Its IUPAC name is chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane.

Molecular Properties

Compound Namechloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane
PubChem CID123328360
Molecular FormulaC17H31ClO2Si2
Molecular Weight359.06 g/mol
Exact Mass358.16
IUPAC Namechloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane
SMILESC[Si](C)(C)CCCOc1ccc(OCCC[Si](C)(C)Cl)cc1
InChIInChI=1S/C17H31ClO2Si2/c1-21(2,3)14-6-12-19-16-8-10-17(11-9-16)20-13-7-15-22(4,5)18/h8-11H,6-7,12-15H2,1-5H3
InChIKeyQHMGRGYQCQVEHQ-UHFFFAOYSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.06
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane?
The IUPAC name of chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane (CID 123328360) is chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane.
What is the SMILES notation for chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane?
The canonical SMILES for chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane is C[Si](C)(C)CCCOc1ccc(OCCC[Si](C)(C)Cl)cc1.
What is the InChIKey of chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane?
The InChIKey is QHMGRGYQCQVEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31ClO2Si2/c1-21(2,3)14-6-12-19-16-8-10-17(11-9-16)20-13-7-15-22(4,5)18/h8-11H,6-7,12-15H2,1-5H3.
What are the key properties of chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane?
chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane has a molecular weight of 359.06 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane is sourced from PubChem (CID 123328360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).