4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene

C12H19BrO — CID 143659299

IUPAC4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene
SMILESC=C.C=Cc1c(CBr)coc1C.CC
InChIInChI=1S/C8H9BrO.C2H6.C2H4/c1-3-8-6(2)10-5-7(8)4-9;2*1-2/h3,5H,1,4H2,2H3;1-2H3;1-2H2
InChIKeyYLHCFOILKODMGF-UHFFFAOYSA-N
MW259.19 g/mol
LogP4.95
Rot. Bonds2

About 4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene

4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene (PubChem CID 143659299) has the molecular formula C12H19BrO and a molecular weight of 259.19 g/mol. Its IUPAC name is 4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene.

Molecular Properties

Compound Name4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene
PubChem CID143659299
Molecular FormulaC12H19BrO
Molecular Weight259.19 g/mol
Exact Mass258.06
IUPAC Name4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene
SMILESC=C.C=Cc1c(CBr)coc1C.CC
InChIInChI=1S/C8H9BrO.C2H6.C2H4/c1-3-8-6(2)10-5-7(8)4-9;2*1-2/h3,5H,1,4H2,2H3;1-2H3;1-2H2
InChIKeyYLHCFOILKODMGF-UHFFFAOYSA-N
XLogP4.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-ethyl-2-methyl-3-propan-2-ylfuran
CID 170023232
ethane;2-[5-ethenyl-4-[(Z)-prop-1-enyl]furan-3-yl]acetic acid
CID 144954463
2-(bromomethyl)-4-ethenyl-1-methylbenzene
CID 139992255
1-(bromomethyl)-3-methyl-5-prop-2-enylbenzene;ethene
CID 142401295
[2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane
CID 145207353
(3-ethenyl-4-methylfuran-2-yl)methanimine
CID 167500331
ethane;2-ethyl-3,4-dimethylfuran
CID 154656296
4-ethenyl-3-ethyl-5-methylpyridine
CID 142108628
1-(bromomethyl)-3-ethenyl-5-methylbenzene
CID 90007705
3-ethenyl-2,4,5-trimethylfuran
CID 167164400
ethane;4-ethenyl-3-ethyl-2,5-dimethylpyridine
CID 143996448
1-(bromomethyl)-2-ethenylbenzene;2-methylprop-1-ene
CID 22617263

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene?
The IUPAC name of 4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene (CID 143659299) is 4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene.
What is the SMILES notation for 4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene?
The canonical SMILES for 4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene is C=C.C=Cc1c(CBr)coc1C.CC.
What is the InChIKey of 4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene?
The InChIKey is YLHCFOILKODMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO.C2H6.C2H4/c1-3-8-6(2)10-5-7(8)4-9;2*1-2/h3,5H,1,4H2,2H3;1-2H3;1-2H2.
What are the key properties of 4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene?
4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene has a molecular weight of 259.19 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-ethenyl-2-methylfuran;ethane;ethene is sourced from PubChem (CID 143659299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).