2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane

C11H23ClO2 — CID 59170484

IUPAC2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane
SMILESCC(C)(C)OCC(CCl)OC(C)(C)C
InChIInChI=1S/C11H23ClO2/c1-10(2,3)13-8-9(7-12)14-11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyFIQUAWCIWQSXFX-UHFFFAOYSA-N
MW222.76 g/mol
LogP3.22
Rot. Bonds4

About 2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane

2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane (PubChem CID 59170484) has the molecular formula C11H23ClO2 and a molecular weight of 222.76 g/mol. Its IUPAC name is 2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane.

Molecular Properties

Compound Name2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane
PubChem CID59170484
Molecular FormulaC11H23ClO2
Molecular Weight222.76 g/mol
Exact Mass222.14
IUPAC Name2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane
SMILESCC(C)(C)OCC(CCl)OC(C)(C)C
InChIInChI=1S/C11H23ClO2/c1-10(2,3)13-8-9(7-12)14-11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyFIQUAWCIWQSXFX-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane?
The IUPAC name of 2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane (CID 59170484) is 2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane.
What is the SMILES notation for 2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane?
The canonical SMILES for 2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane is CC(C)(C)OCC(CCl)OC(C)(C)C.
What is the InChIKey of 2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane?
The InChIKey is FIQUAWCIWQSXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO2/c1-10(2,3)13-8-9(7-12)14-11(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane?
2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane has a molecular weight of 222.76 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane is sourced from PubChem (CID 59170484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).