2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane

C9H19ClO2 — CID 63664808

IUPAC2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane
SMILESCCC(C)(C)OCCOCCCl
InChIInChI=1S/C9H19ClO2/c1-4-9(2,3)12-8-7-11-6-5-10/h4-8H2,1-3H3
InChIKeyRNPNPDZNCNSRAH-UHFFFAOYSA-N
MW194.70 g/mol
LogP2.45
Rot. Bonds7

About 2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane

2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane (PubChem CID 63664808) has the molecular formula C9H19ClO2 and a molecular weight of 194.70 g/mol. Its IUPAC name is 2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane.

Molecular Properties

Compound Name2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane
PubChem CID63664808
Molecular FormulaC9H19ClO2
Molecular Weight194.70 g/mol
Exact Mass194.11
IUPAC Name2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane
SMILESCCC(C)(C)OCCOCCCl
InChIInChI=1S/C9H19ClO2/c1-4-9(2,3)12-8-7-11-6-5-10/h4-8H2,1-3H3
InChIKeyRNPNPDZNCNSRAH-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 52.45
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-chloroethoxy)ethoxy]-2-methylbutane?
The IUPAC name of 2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane (CID 63664808) is 2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane.
What is the SMILES notation for 2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane?
The canonical SMILES for 2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane is CCC(C)(C)OCCOCCCl.
What is the InChIKey of 2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane?
The InChIKey is RNPNPDZNCNSRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO2/c1-4-9(2,3)12-8-7-11-6-5-10/h4-8H2,1-3H3.
What are the key properties of 2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane?
2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane has a molecular weight of 194.70 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethoxy)ethoxy]-2-methylbutane is sourced from PubChem (CID 63664808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).