3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane

C13H27ClOSi — CID 554574

IUPAC3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane
SMILESCCC1CCCCC1O[Si](C)(C)CCCCl
InChIInChI=1S/C13H27ClOSi/c1-4-12-8-5-6-9-13(12)15-16(2,3)11-7-10-14/h12-13H,4-11H2,1-3H3
InChIKeyABYRCIREHQUALM-UHFFFAOYSA-N
MW262.90 g/mol
LogP4.81
Rot. Bonds6

About 3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane

3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane (PubChem CID 554574) has the molecular formula C13H27ClOSi and a molecular weight of 262.90 g/mol. Its IUPAC name is 3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane.

Molecular Properties

Compound Name3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane
PubChem CID554574
Molecular FormulaC13H27ClOSi
Molecular Weight262.90 g/mol
Exact Mass262.15
IUPAC Name3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane
SMILESCCC1CCCCC1O[Si](C)(C)CCCCl
InChIInChI=1S/C13H27ClOSi/c1-4-12-8-5-6-9-13(12)15-16(2,3)11-7-10-14/h12-13H,4-11H2,1-3H3
InChIKeyABYRCIREHQUALM-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.90
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane?
The IUPAC name of 3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane (CID 554574) is 3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane.
What is the SMILES notation for 3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane?
The canonical SMILES for 3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane is CCC1CCCCC1O[Si](C)(C)CCCCl.
What is the InChIKey of 3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane?
The InChIKey is ABYRCIREHQUALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27ClOSi/c1-4-12-8-5-6-9-13(12)15-16(2,3)11-7-10-14/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane?
3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane has a molecular weight of 262.90 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-(2-ethylcyclohexyl)oxy-dimethylsilane is sourced from PubChem (CID 554574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).