2-[2-(bromomethyl)prop-2-enoxy]oxane

C9H15BrO2 — CID 10857407

IUPAC2-[2-(bromomethyl)prop-2-enoxy]oxane
SMILESC=C(CBr)COC1CCCCO1
InChIInChI=1S/C9H15BrO2/c1-8(6-10)7-12-9-4-2-3-5-11-9/h9H,1-7H2
InChIKeyJMASQQWMAMICKB-UHFFFAOYSA-N
MW235.12 g/mol
LogP2.48
Rot. Bonds4

About 2-[2-(bromomethyl)prop-2-enoxy]oxane

2-[2-(bromomethyl)prop-2-enoxy]oxane (PubChem CID 10857407) has the molecular formula C9H15BrO2 and a molecular weight of 235.12 g/mol. Its IUPAC name is 2-[2-(bromomethyl)prop-2-enoxy]oxane.

Molecular Properties

Compound Name2-[2-(bromomethyl)prop-2-enoxy]oxane
PubChem CID10857407
Molecular FormulaC9H15BrO2
Molecular Weight235.12 g/mol
Exact Mass234.03
IUPAC Name2-[2-(bromomethyl)prop-2-enoxy]oxane
SMILESC=C(CBr)COC1CCCCO1
InChIInChI=1S/C9H15BrO2/c1-8(6-10)7-12-9-4-2-3-5-11-9/h9H,1-7H2
InChIKeyJMASQQWMAMICKB-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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Related Compounds

2-[(E)-4-bromobut-2-enoxy]oxane
CID 10752203
2-[[(E)-3-Methyl-4-bromo-2-butenyl]oxy]tetrahydro-2H-pyran
CID 11139512
3-Bromo-2-prop-2-enoxyoxane
CID 10977004
(2S,3R)-3-bromo-2-prop-2-enoxyoxane
CID 11053200
cis-2-(4-Bromobut-2-enyloxy)tetrahydropyran
CID 13407079
(2R,3S)-3-bromo-2-prop-2-enoxyoxane
CID 101797176
(2S,3R)-3-bromo-2-(3-methylbut-2-enoxy)oxane
CID 135078252
2-[2-(Bromomethyl)but-2-enoxy]oxane
CID 53797677
2-(4-Bromo-2-methylbut-2-enoxy)oxane
CID 54230879
2-[(4-Bromobut-2-en-1-yl)oxy]oxane
CID 70373559
2-(4-Bromo-3-methylbut-2-enoxy)oxane
CID 70574994
2-[4-Bromo-3-(bromomethyl)but-2-enoxy]oxane
CID 169560243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)prop-2-enoxy]oxane?
The IUPAC name of 2-[2-(bromomethyl)prop-2-enoxy]oxane (CID 10857407) is 2-[2-(bromomethyl)prop-2-enoxy]oxane.
What is the SMILES notation for 2-[2-(bromomethyl)prop-2-enoxy]oxane?
The canonical SMILES for 2-[2-(bromomethyl)prop-2-enoxy]oxane is C=C(CBr)COC1CCCCO1.
What is the InChIKey of 2-[2-(bromomethyl)prop-2-enoxy]oxane?
The InChIKey is JMASQQWMAMICKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO2/c1-8(6-10)7-12-9-4-2-3-5-11-9/h9H,1-7H2.
What are the key properties of 2-[2-(bromomethyl)prop-2-enoxy]oxane?
2-[2-(bromomethyl)prop-2-enoxy]oxane 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-[2-(bromomethyl)prop-2-enoxy]oxane is sourced from PubChem (CID 10857407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).