5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane

C13H25ClO — CID 116525259

IUPAC5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane
SMILESCC(C)C(C)(CCl)CC1CCC(C)(C)O1
InChIInChI=1S/C13H25ClO/c1-10(2)13(5,9-14)8-11-6-7-12(3,4)15-11/h10-11H,6-9H2,1-5H3
InChIKeySGQKUPCLTLBFGO-UHFFFAOYSA-N
MW232.79 g/mol
LogP4.24
Rot. Bonds4

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

5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane (PubChem CID 116525259) has the molecular formula C13H25ClO and a molecular weight of 232.79 g/mol. Its IUPAC name is 5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane
PubChem CID116525259
Molecular FormulaC13H25ClO
Molecular Weight232.79 g/mol
Exact Mass232.16
IUPAC Name5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane
SMILESCC(C)C(C)(CCl)CC1CCC(C)(C)O1
InChIInChI=1S/C13H25ClO/c1-10(2)13(5,9-14)8-11-6-7-12(3,4)15-11/h10-11H,6-9H2,1-5H3
InChIKeySGQKUPCLTLBFGO-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.79
LogP ≤ 54.24
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-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane
CID 116525310
5-(3-chloro-2-methylpropyl)-2,2-dimethyloxolane
CID 116525177
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane
CID 116525315
5-(1-chloropropan-2-ylsulfanylmethyl)-2,2-dimethyloxolane
CID 116525762
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
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
5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
CID 116523355

Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane (CID 116525259) is 5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane is CC(C)C(C)(CCl)CC1CCC(C)(C)O1.
What is the InChIKey of 5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane?
The InChIKey is SGQKUPCLTLBFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO/c1-10(2)13(5,9-14)8-11-6-7-12(3,4)15-11/h10-11H,6-9H2,1-5H3.
What are the key properties of 5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane?
5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane has a molecular weight of 232.79 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane is sourced from PubChem (CID 116525259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).