chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane

C15H27ClSi — CID 86094802

IUPACchloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCC1=C(CC)C([Si](C)(C)Cl)C(CC)=C1CC
InChIInChI=1S/C15H27ClSi/c1-7-11-12(8-2)14(10-4)15(13(11)9-3)17(5,6)16/h15H,7-10H2,1-6H3
InChIKeyAXPPYNKXLMQPEE-UHFFFAOYSA-N
MW270.92 g/mol
LogP6.05
Rot. Bonds5

About chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane

chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 86094802) has the molecular formula C15H27ClSi and a molecular weight of 270.92 g/mol. Its IUPAC name is chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namechloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID86094802
Molecular FormulaC15H27ClSi
Molecular Weight270.92 g/mol
Exact Mass270.16
IUPAC Namechloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCC1=C(CC)C([Si](C)(C)Cl)C(CC)=C1CC
InChIInChI=1S/C15H27ClSi/c1-7-11-12(8-2)14(10-4)15(13(11)9-3)17(5,6)16/h15H,7-10H2,1-6H3
InChIKeyAXPPYNKXLMQPEE-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.92
LogP ≤ 56.05
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 chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane (CID 86094802) is chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane is CCC1=C(CC)C([Si](C)(C)Cl)C(CC)=C1CC.
What is the InChIKey of chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is AXPPYNKXLMQPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClSi/c1-7-11-12(8-2)14(10-4)15(13(11)9-3)17(5,6)16/h15H,7-10H2,1-6H3.
What are the key properties of chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane?
chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 270.92 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 86094802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).