3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one

C8H8Br2O2 — CID 56836437

IUPAC3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one
SMILESCC1=C(Br)C(/C=C(/C)Br)OC1=O
InChIInChI=1S/C8H8Br2O2/c1-4(9)3-6-7(10)5(2)8(11)12-6/h3,6H,1-2H3/b4-3-
InChIKeyNQXBHLKAEDUQEB-ARJAWSKDSA-N
MW295.96 g/mol
LogP2.88
Rot. Bonds1

About 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one

3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one (PubChem CID 56836437) has the molecular formula C8H8Br2O2 and a molecular weight of 295.96 g/mol. Its IUPAC name is 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one
PubChem CID56836437
Molecular FormulaC8H8Br2O2
Molecular Weight295.96 g/mol
Exact Mass293.89
IUPAC Name3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one
SMILESCC1=C(Br)C(/C=C(/C)Br)OC1=O
InChIInChI=1S/C8H8Br2O2/c1-4(9)3-6-7(10)5(2)8(11)12-6/h3,6H,1-2H3/b4-3-
InChIKeyNQXBHLKAEDUQEB-ARJAWSKDSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.96
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-(dibromomethyl)-3-methylfuran-2(5H)-one
CID 44447106
4-bromo-5-methyl-2(5H)-furanone
CID 14708620
3,4-dibromo-2-(2-methylprop-2-enyl)-2H-furan-5-one
CID 9994689
ethyl (Z)-2-(bromomethyl)hex-2-enoate
CID 13762684
4-(bromomethyl)-2-ethenyl-2H-furan-5-one
CID 162399330
4-(bromomethyl)-2-methyl-2H-furan-5-one
CID 12258902
3-bromo-2-propan-2-yl-2H-furan-5-one
CID 14785092
(2S)-2-[(1R)-1-bromoethyl]-4-methyl-2H-furan-5-one
CID 130763673
5-Bromo-5-(dibromomethyl)-4-methylfuran-2-one
CID 9902929
ethyl (Z)-2-(bromomethyl)pent-2-enoate
CID 10466074
ethyl (E)-6-bromo-2-methylhex-2-enoate
CID 10889872
ethyl (E)-2-(bromomethyl)hex-2-enoate
CID 13762683

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one?
The IUPAC name of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one (CID 56836437) is 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one.
What is the SMILES notation for 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one?
The canonical SMILES for 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one is CC1=C(Br)C(/C=C(/C)Br)OC1=O.
What is the InChIKey of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one?
The InChIKey is NQXBHLKAEDUQEB-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H8Br2O2/c1-4(9)3-6-7(10)5(2)8(11)12-6/h3,6H,1-2H3/b4-3-.
What are the key properties of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one?
3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one has a molecular weight of 295.96 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one is sourced from PubChem (CID 56836437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).