2-(3-chloro-2-methoxypropoxy)-2-methylpropane

C8H17ClO2 — CID 129252094

IUPAC2-(3-chloro-2-methoxypropoxy)-2-methylpropane
SMILESCOC(CCl)COC(C)(C)C
InChIInChI=1S/C8H17ClO2/c1-8(2,3)11-6-7(5-9)10-4/h7H,5-6H2,1-4H3
InChIKeyIWOHTKVURZULJH-UHFFFAOYSA-N
MW180.67 g/mol
LogP2.06
Rot. Bonds4

About 2-(3-chloro-2-methoxypropoxy)-2-methylpropane

2-(3-chloro-2-methoxypropoxy)-2-methylpropane (PubChem CID 129252094) has the molecular formula C8H17ClO2 and a molecular weight of 180.67 g/mol. Its IUPAC name is 2-(3-chloro-2-methoxypropoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(3-chloro-2-methoxypropoxy)-2-methylpropane
PubChem CID129252094
Molecular FormulaC8H17ClO2
Molecular Weight180.67 g/mol
Exact Mass180.09
IUPAC Name2-(3-chloro-2-methoxypropoxy)-2-methylpropane
SMILESCOC(CCl)COC(C)(C)C
InChIInChI=1S/C8H17ClO2/c1-8(2,3)11-6-7(5-9)10-4/h7H,5-6H2,1-4H3
InChIKeyIWOHTKVURZULJH-UHFFFAOYSA-N
XLogP2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.67
LogP ≤ 52.06
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-methoxypropoxy)-2-methylpropane?
The IUPAC name of 2-(3-chloro-2-methoxypropoxy)-2-methylpropane (CID 129252094) is 2-(3-chloro-2-methoxypropoxy)-2-methylpropane.
What is the SMILES notation for 2-(3-chloro-2-methoxypropoxy)-2-methylpropane?
The canonical SMILES for 2-(3-chloro-2-methoxypropoxy)-2-methylpropane is COC(CCl)COC(C)(C)C.
What is the InChIKey of 2-(3-chloro-2-methoxypropoxy)-2-methylpropane?
The InChIKey is IWOHTKVURZULJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO2/c1-8(2,3)11-6-7(5-9)10-4/h7H,5-6H2,1-4H3.
What are the key properties of 2-(3-chloro-2-methoxypropoxy)-2-methylpropane?
2-(3-chloro-2-methoxypropoxy)-2-methylpropane has a molecular weight of 180.67 g/mol, XLogP of 2.06, 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-methoxypropoxy)-2-methylpropane is sourced from PubChem (CID 129252094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).