[2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane

C13H15ClSi — CID 154723514

IUPAC[2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)c1ccccc1C#CCl
InChIInChI=1S/C13H15ClSi/c1-4-11-15(2,3)13-8-6-5-7-12(13)9-10-14/h4-8H,1,11H2,2-3H3
InChIKeyCZNDWDADXOAPBE-UHFFFAOYSA-N
MW234.80 g/mol
LogP3.34
Rot. Bonds3

About [2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane

[2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane (PubChem CID 154723514) has the molecular formula C13H15ClSi and a molecular weight of 234.80 g/mol. Its IUPAC name is [2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane.

Molecular Properties

Compound Name[2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane
PubChem CID154723514
Molecular FormulaC13H15ClSi
Molecular Weight234.80 g/mol
Exact Mass234.06
IUPAC Name[2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)c1ccccc1C#CCl
InChIInChI=1S/C13H15ClSi/c1-4-11-15(2,3)13-8-6-5-7-12(13)9-10-14/h4-8H,1,11H2,2-3H3
InChIKeyCZNDWDADXOAPBE-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.80
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane?
The IUPAC name of [2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane (CID 154723514) is [2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane.
What is the SMILES notation for [2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane?
The canonical SMILES for [2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane is C=CC[Si](C)(C)c1ccccc1C#CCl.
What is the InChIKey of [2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane?
The InChIKey is CZNDWDADXOAPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClSi/c1-4-11-15(2,3)13-8-6-5-7-12(13)9-10-14/h4-8H,1,11H2,2-3H3.
What are the key properties of [2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane?
[2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane has a molecular weight of 234.80 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroethynyl)phenyl]-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 154723514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).