1-chloro-1-(4-methylphenyl)siletane

C10H13ClSi — CID 20767164

IUPAC1-chloro-1-(4-methylphenyl)siletane
SMILESCc1ccc([Si]2(Cl)CCC2)cc1
InChIInChI=1S/C10H13ClSi/c1-9-3-5-10(6-4-9)12(11)7-2-8-12/h3-6H,2,7-8H2,1H3
InChIKeyTTYVSAKDGUGVEJ-UHFFFAOYSA-N
MW196.75 g/mol
LogP2.79
Rot. Bonds1

About 1-chloro-1-(4-methylphenyl)siletane

1-chloro-1-(4-methylphenyl)siletane (PubChem CID 20767164) has the molecular formula C10H13ClSi and a molecular weight of 196.75 g/mol. Its IUPAC name is 1-chloro-1-(4-methylphenyl)siletane.

Molecular Properties

Compound Name1-chloro-1-(4-methylphenyl)siletane
PubChem CID20767164
Molecular FormulaC10H13ClSi
Molecular Weight196.75 g/mol
Exact Mass196.05
IUPAC Name1-chloro-1-(4-methylphenyl)siletane
SMILESCc1ccc([Si]2(Cl)CCC2)cc1
InChIInChI=1S/C10H13ClSi/c1-9-3-5-10(6-4-9)12(11)7-2-8-12/h3-6H,2,7-8H2,1H3
InChIKeyTTYVSAKDGUGVEJ-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.75
LogP ≤ 52.79
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 1-chloro-1-(4-methylphenyl)siletane?
The IUPAC name of 1-chloro-1-(4-methylphenyl)siletane (CID 20767164) is 1-chloro-1-(4-methylphenyl)siletane.
What is the SMILES notation for 1-chloro-1-(4-methylphenyl)siletane?
The canonical SMILES for 1-chloro-1-(4-methylphenyl)siletane is Cc1ccc([Si]2(Cl)CCC2)cc1.
What is the InChIKey of 1-chloro-1-(4-methylphenyl)siletane?
The InChIKey is TTYVSAKDGUGVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClSi/c1-9-3-5-10(6-4-9)12(11)7-2-8-12/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-chloro-1-(4-methylphenyl)siletane?
1-chloro-1-(4-methylphenyl)siletane has a molecular weight of 196.75 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(4-methylphenyl)siletane is sourced from PubChem (CID 20767164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).