2-[2-(bromomethyl)butyl]-5-methyloxolane

C10H19BrO — CID 103142666

IUPAC2-[2-(bromomethyl)butyl]-5-methyloxolane
SMILESCCC(CBr)CC1CCC(C)O1
InChIInChI=1S/C10H19BrO/c1-3-9(7-11)6-10-5-4-8(2)12-10/h8-10H,3-7H2,1-2H3
InChIKeyOSKRGZQDDMNPDW-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.37
Rot. Bonds4

About 2-[2-(bromomethyl)butyl]-5-methyloxolane

2-[2-(bromomethyl)butyl]-5-methyloxolane (PubChem CID 103142666) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[2-(bromomethyl)butyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[2-(bromomethyl)butyl]-5-methyloxolane
PubChem CID103142666
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name2-[2-(bromomethyl)butyl]-5-methyloxolane
SMILESCCC(CBr)CC1CCC(C)O1
InChIInChI=1S/C10H19BrO/c1-3-9(7-11)6-10-5-4-8(2)12-10/h8-10H,3-7H2,1-2H3
InChIKeyOSKRGZQDDMNPDW-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.37
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-[2-(bromomethyl)butyl]-5-methyloxolane?
The IUPAC name of 2-[2-(bromomethyl)butyl]-5-methyloxolane (CID 103142666) is 2-[2-(bromomethyl)butyl]-5-methyloxolane.
What is the SMILES notation for 2-[2-(bromomethyl)butyl]-5-methyloxolane?
The canonical SMILES for 2-[2-(bromomethyl)butyl]-5-methyloxolane is CCC(CBr)CC1CCC(C)O1.
What is the InChIKey of 2-[2-(bromomethyl)butyl]-5-methyloxolane?
The InChIKey is OSKRGZQDDMNPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-3-9(7-11)6-10-5-4-8(2)12-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-[2-(bromomethyl)butyl]-5-methyloxolane?
2-[2-(bromomethyl)butyl]-5-methyloxolane has a molecular weight of 235.16 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)butyl]-5-methyloxolane is sourced from PubChem (CID 103142666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).