2-(chloromethoxy)-2-methylpropane

C5H11ClO — CID 13047163

IUPAC2-(chloromethoxy)-2-methylpropane
SMILESCC(C)(C)OCCl
InChIInChI=1S/C5H11ClO/c1-5(2,3)7-4-6/h4H2,1-3H3
InChIKeyCIACLSGBPZWWNK-UHFFFAOYSA-N
MW122.59 g/mol
LogP2.00
Rot. Bonds1

About 2-(chloromethoxy)-2-methylpropane

2-(chloromethoxy)-2-methylpropane (PubChem CID 13047163) has the molecular formula C5H11ClO and a molecular weight of 122.59 g/mol. Its IUPAC name is 2-(chloromethoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(chloromethoxy)-2-methylpropane
PubChem CID13047163
Molecular FormulaC5H11ClO
Molecular Weight122.59 g/mol
Exact Mass122.05
IUPAC Name2-(chloromethoxy)-2-methylpropane
SMILESCC(C)(C)OCCl
InChIInChI=1S/C5H11ClO/c1-5(2,3)7-4-6/h4H2,1-3H3
InChIKeyCIACLSGBPZWWNK-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.59
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(chloromethoxy)-2-methylpropane?
The IUPAC name of 2-(chloromethoxy)-2-methylpropane (CID 13047163) is 2-(chloromethoxy)-2-methylpropane.
What is the SMILES notation for 2-(chloromethoxy)-2-methylpropane?
The canonical SMILES for 2-(chloromethoxy)-2-methylpropane is CC(C)(C)OCCl.
What is the InChIKey of 2-(chloromethoxy)-2-methylpropane?
The InChIKey is CIACLSGBPZWWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO/c1-5(2,3)7-4-6/h4H2,1-3H3.
What are the key properties of 2-(chloromethoxy)-2-methylpropane?
2-(chloromethoxy)-2-methylpropane has a molecular weight of 122.59 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)-2-methylpropane is sourced from PubChem (CID 13047163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).