1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane

C13H23ClSi — CID 142418326

IUPAC1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane
SMILESCCCCCC(Cl)[Si](C)(C)C1=CC=CC1
InChIInChI=1S/C13H23ClSi/c1-4-5-6-11-13(14)15(2,3)12-9-7-8-10-12/h7-9,13H,4-6,10-11H2,1-3H3
InChIKeyBWIHJGSYXMBDIO-UHFFFAOYSA-N
MW242.87 g/mol
LogP4.85
Rot. Bonds6

About 1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane

1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane (PubChem CID 142418326) has the molecular formula C13H23ClSi and a molecular weight of 242.87 g/mol. Its IUPAC name is 1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane.

Molecular Properties

Compound Name1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane
PubChem CID142418326
Molecular FormulaC13H23ClSi
Molecular Weight242.87 g/mol
Exact Mass242.13
IUPAC Name1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane
SMILESCCCCCC(Cl)[Si](C)(C)C1=CC=CC1
InChIInChI=1S/C13H23ClSi/c1-4-5-6-11-13(14)15(2,3)12-9-7-8-10-12/h7-9,13H,4-6,10-11H2,1-3H3
InChIKeyBWIHJGSYXMBDIO-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.87
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane?
The IUPAC name of 1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane (CID 142418326) is 1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane.
What is the SMILES notation for 1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane?
The canonical SMILES for 1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane is CCCCCC(Cl)[Si](C)(C)C1=CC=CC1.
What is the InChIKey of 1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane?
The InChIKey is BWIHJGSYXMBDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClSi/c1-4-5-6-11-13(14)15(2,3)12-9-7-8-10-12/h7-9,13H,4-6,10-11H2,1-3H3.
What are the key properties of 1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane?
1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane has a molecular weight of 242.87 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorohexyl-cyclopenta-1,3-dien-1-yl-dimethylsilane is sourced from PubChem (CID 142418326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).