2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane

C9H19ClO2 — CID 112587503

IUPAC2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane
SMILESCC(C)(C)OCCOCCCCl
InChIInChI=1S/C9H19ClO2/c1-9(2,3)12-8-7-11-6-4-5-10/h4-8H2,1-3H3
InChIKeyVLNFVEUTDXMEHJ-UHFFFAOYSA-N
MW194.70 g/mol
LogP2.45
Rot. Bonds6

About 2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane

2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane (PubChem CID 112587503) has the molecular formula C9H19ClO2 and a molecular weight of 194.70 g/mol. Its IUPAC name is 2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane.

Molecular Properties

Compound Name2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane
PubChem CID112587503
Molecular FormulaC9H19ClO2
Molecular Weight194.70 g/mol
Exact Mass194.11
IUPAC Name2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane
SMILESCC(C)(C)OCCOCCCCl
InChIInChI=1S/C9H19ClO2/c1-9(2,3)12-8-7-11-6-4-5-10/h4-8H2,1-3H3
InChIKeyVLNFVEUTDXMEHJ-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-(3-chloropropoxy)ethoxy]-2-methylpropane?
The IUPAC name of 2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane (CID 112587503) is 2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane.
What is the SMILES notation for 2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane?
The canonical SMILES for 2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane is CC(C)(C)OCCOCCCCl.
What is the InChIKey of 2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane?
The InChIKey is VLNFVEUTDXMEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO2/c1-9(2,3)12-8-7-11-6-4-5-10/h4-8H2,1-3H3.
What are the key properties of 2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane?
2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane has a molecular weight of 194.70 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloropropoxy)ethoxy]-2-methylpropane is sourced from PubChem (CID 112587503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).