2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane

C8H17ClOS — CID 86183858

IUPAC2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane
SMILESCC(C)(C)OCCSCCCl
InChIInChI=1S/C8H17ClOS/c1-8(2,3)10-5-7-11-6-4-9/h4-7H2,1-3H3
InChIKeyYVILEKRSPUANNH-UHFFFAOYSA-N
MW196.74 g/mol
LogP2.77
Rot. Bonds5

About 2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane

2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane (PubChem CID 86183858) has the molecular formula C8H17ClOS and a molecular weight of 196.74 g/mol. Its IUPAC name is 2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane.

Molecular Properties

Compound Name2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane
PubChem CID86183858
Molecular FormulaC8H17ClOS
Molecular Weight196.74 g/mol
Exact Mass196.07
IUPAC Name2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane
SMILESCC(C)(C)OCCSCCCl
InChIInChI=1S/C8H17ClOS/c1-8(2,3)10-5-7-11-6-4-9/h4-7H2,1-3H3
InChIKeyYVILEKRSPUANNH-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.74
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane?
The IUPAC name of 2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane (CID 86183858) is 2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane.
What is the SMILES notation for 2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane?
The canonical SMILES for 2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane is CC(C)(C)OCCSCCCl.
What is the InChIKey of 2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane?
The InChIKey is YVILEKRSPUANNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClOS/c1-8(2,3)10-5-7-11-6-4-9/h4-7H2,1-3H3.
What are the key properties of 2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane?
2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane has a molecular weight of 196.74 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethylsulfanyl)ethoxy]-2-methylpropane is sourced from PubChem (CID 86183858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).