[3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane

C13H21ClSi — CID 106324212

IUPAC[3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane
SMILESCc1ccccc1C(CCl)C[Si](C)(C)C
InChIInChI=1S/C13H21ClSi/c1-11-7-5-6-8-13(11)12(9-14)10-15(2,3)4/h5-8,12H,9-10H2,1-4H3
InChIKeyMZUBTMTVHFWYOR-UHFFFAOYSA-N
MW240.85 g/mol
LogP4.66
Rot. Bonds4

About [3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane

[3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane (PubChem CID 106324212) has the molecular formula C13H21ClSi and a molecular weight of 240.85 g/mol. Its IUPAC name is [3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane.

Molecular Properties

Compound Name[3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane
PubChem CID106324212
Molecular FormulaC13H21ClSi
Molecular Weight240.85 g/mol
Exact Mass240.11
IUPAC Name[3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane
SMILESCc1ccccc1C(CCl)C[Si](C)(C)C
InChIInChI=1S/C13H21ClSi/c1-11-7-5-6-8-13(11)12(9-14)10-15(2,3)4/h5-8,12H,9-10H2,1-4H3
InChIKeyMZUBTMTVHFWYOR-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.85
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane?
The IUPAC name of [3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane (CID 106324212) is [3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane.
What is the SMILES notation for [3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane?
The canonical SMILES for [3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane is Cc1ccccc1C(CCl)C[Si](C)(C)C.
What is the InChIKey of [3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane?
The InChIKey is MZUBTMTVHFWYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClSi/c1-11-7-5-6-8-13(11)12(9-14)10-15(2,3)4/h5-8,12H,9-10H2,1-4H3.
What are the key properties of [3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane?
[3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane has a molecular weight of 240.85 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(2-methylphenyl)propyl]-trimethylsilane is sourced from PubChem (CID 106324212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).