2-(bromomethyl)-2-prop-2-enoxyoxane

C9H15BrO2 — CID 134858538

IUPAC2-(bromomethyl)-2-prop-2-enoxyoxane
SMILESC=CCOC1(CBr)CCCCO1
InChIInChI=1S/C9H15BrO2/c1-2-6-11-9(8-10)5-3-4-7-12-9/h2H,1,3-8H2
InChIKeyUDNAUZLBAKZQCC-UHFFFAOYSA-N
MW235.12 g/mol
LogP2.48
Rot. Bonds4

About 2-(bromomethyl)-2-prop-2-enoxyoxane

2-(bromomethyl)-2-prop-2-enoxyoxane (PubChem CID 134858538) has the molecular formula C9H15BrO2 and a molecular weight of 235.12 g/mol. Its IUPAC name is 2-(bromomethyl)-2-prop-2-enoxyoxane.

Molecular Properties

Compound Name2-(bromomethyl)-2-prop-2-enoxyoxane
PubChem CID134858538
Molecular FormulaC9H15BrO2
Molecular Weight235.12 g/mol
Exact Mass234.03
IUPAC Name2-(bromomethyl)-2-prop-2-enoxyoxane
SMILESC=CCOC1(CBr)CCCCO1
InChIInChI=1S/C9H15BrO2/c1-2-6-11-9(8-10)5-3-4-7-12-9/h2H,1,3-8H2
InChIKeyUDNAUZLBAKZQCC-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-prop-2-enoxyoxane?
The IUPAC name of 2-(bromomethyl)-2-prop-2-enoxyoxane (CID 134858538) is 2-(bromomethyl)-2-prop-2-enoxyoxane.
What is the SMILES notation for 2-(bromomethyl)-2-prop-2-enoxyoxane?
The canonical SMILES for 2-(bromomethyl)-2-prop-2-enoxyoxane is C=CCOC1(CBr)CCCCO1.
What is the InChIKey of 2-(bromomethyl)-2-prop-2-enoxyoxane?
The InChIKey is UDNAUZLBAKZQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO2/c1-2-6-11-9(8-10)5-3-4-7-12-9/h2H,1,3-8H2.
What are the key properties of 2-(bromomethyl)-2-prop-2-enoxyoxane?
2-(bromomethyl)-2-prop-2-enoxyoxane has a molecular weight of 235.12 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-prop-2-enoxyoxane is sourced from PubChem (CID 134858538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).