5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane

C11H20Cl2O — CID 116525310

IUPAC5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane
SMILESCC(CCl)(CCl)CC1CCC(C)(C)O1
InChIInChI=1S/C11H20Cl2O/c1-10(2)5-4-9(14-10)6-11(3,7-12)8-13/h9H,4-8H2,1-3H3
InChIKeyILCSSIPYFPXSRH-UHFFFAOYSA-N
MW239.19 g/mol
LogP3.82
Rot. Bonds4

About 5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane

5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane (PubChem CID 116525310) has the molecular formula C11H20Cl2O and a molecular weight of 239.19 g/mol. Its IUPAC name is 5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane
PubChem CID116525310
Molecular FormulaC11H20Cl2O
Molecular Weight239.19 g/mol
Exact Mass238.09
IUPAC Name5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane
SMILESCC(CCl)(CCl)CC1CCC(C)(C)O1
InChIInChI=1S/C11H20Cl2O/c1-10(2)5-4-9(14-10)6-11(3,7-12)8-13/h9H,4-8H2,1-3H3
InChIKeyILCSSIPYFPXSRH-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane
CID 116525259
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane
CID 116525315
2-cyclopropyl-3-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 116525154
5-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-2,2-dimethyloxolane
CID 116525324
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
CID 116525112
2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid
CID 106487161
5-(3-chloro-2-methylpropyl)-2,2-dimethyloxolane
CID 116525177
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 116523669
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol
CID 116525290
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640712

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane (CID 116525310) is 5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane is CC(CCl)(CCl)CC1CCC(C)(C)O1.
What is the InChIKey of 5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane?
The InChIKey is ILCSSIPYFPXSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Cl2O/c1-10(2)5-4-9(14-10)6-11(3,7-12)8-13/h9H,4-8H2,1-3H3.
What are the key properties of 5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane?
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane has a molecular weight of 239.19 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane is sourced from PubChem (CID 116525310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).