chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

C12H21ClSi — CID 54061526

IUPACchloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](C)(C)CCl)C(C)=C1C
InChIInChI=1S/C12H21ClSi/c1-9-7-12(4,11(3)10(9)2)14(5,6)8-13/h7H,8H2,1-6H3
InChIKeyMABMOCMCHRCJJT-UHFFFAOYSA-N
MW228.84 g/mol
LogP4.53
Rot. Bonds2

About chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 54061526) has the molecular formula C12H21ClSi and a molecular weight of 228.84 g/mol. Its IUPAC name is chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namechloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID54061526
Molecular FormulaC12H21ClSi
Molecular Weight228.84 g/mol
Exact Mass228.11
IUPAC Namechloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](C)(C)CCl)C(C)=C1C
InChIInChI=1S/C12H21ClSi/c1-9-7-12(4,11(3)10(9)2)14(5,6)8-13/h7H,8H2,1-6H3
InChIKeyMABMOCMCHRCJJT-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.84
LogP ≤ 54.53
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 chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 54061526) is chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=CC(C)([Si](C)(C)CCl)C(C)=C1C.
What is the InChIKey of chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is MABMOCMCHRCJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClSi/c1-9-7-12(4,11(3)10(9)2)14(5,6)8-13/h7H,8H2,1-6H3.
What are the key properties of chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 228.84 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 54061526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).