3-bromo-2-butyl-2H-furan-5-one

C8H11BrO2 — CID 15864905

IUPAC3-bromo-2-butyl-2H-furan-5-one
SMILESCCCCC1OC(=O)C=C1Br
InChIInChI=1S/C8H11BrO2/c1-2-3-4-7-6(9)5-8(10)11-7/h5,7H,2-4H2,1H3
InChIKeyIMPGPNXSDYBMMT-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.38
Rot. Bonds3

About 3-bromo-2-butyl-2H-furan-5-one

3-bromo-2-butyl-2H-furan-5-one (PubChem CID 15864905) has the molecular formula C8H11BrO2 and a molecular weight of 219.08 g/mol. Its IUPAC name is 3-bromo-2-butyl-2H-furan-5-one.

Molecular Properties

Compound Name3-bromo-2-butyl-2H-furan-5-one
PubChem CID15864905
Molecular FormulaC8H11BrO2
Molecular Weight219.08 g/mol
Exact Mass217.99
IUPAC Name3-bromo-2-butyl-2H-furan-5-one
SMILESCCCCC1OC(=O)C=C1Br
InChIInChI=1S/C8H11BrO2/c1-2-3-4-7-6(9)5-8(10)11-7/h5,7H,2-4H2,1H3
InChIKeyIMPGPNXSDYBMMT-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Butylfuran-2(5H)-one
CID 121779
methyl 3-[(2R)-3-bromo-5-oxo-2H-furan-2-yl]propanoate
CID 51002842
propan-2-yl (2E)-2-(3-bromooxolan-2-ylidene)acetate
CID 11543319
4-bromo-5-methyl-2(5H)-furanone
CID 14708620
3,4-dibromo-2-(2-methylprop-2-enyl)-2H-furan-5-one
CID 9994689
(2R)-2-butyl-2H-furan-5-one
CID 11768656
5-[(Z)-1-bromohept-1-enyl]oxolan-2-one
CID 11832179
[(1R,4S,5S,6S)-4-acetyloxy-3,5,6-tribromocyclohex-2-en-1-yl] acetate
CID 15529460
(2R)-2-(3-bromopropyl)-2H-furan-5-one
CID 134969509
(2S)-2-pent-4-enyl-2H-furan-5-one
CID 135012862
ethyl (Z)-3-bromohept-2-enoate
CID 21775059
Ethyl 3-bromohept-2-enoate
CID 73836583

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-butyl-2H-furan-5-one?
The IUPAC name of 3-bromo-2-butyl-2H-furan-5-one (CID 15864905) is 3-bromo-2-butyl-2H-furan-5-one.
What is the SMILES notation for 3-bromo-2-butyl-2H-furan-5-one?
The canonical SMILES for 3-bromo-2-butyl-2H-furan-5-one is CCCCC1OC(=O)C=C1Br.
What is the InChIKey of 3-bromo-2-butyl-2H-furan-5-one?
The InChIKey is IMPGPNXSDYBMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2/c1-2-3-4-7-6(9)5-8(10)11-7/h5,7H,2-4H2,1H3.
What are the key properties of 3-bromo-2-butyl-2H-furan-5-one?
3-bromo-2-butyl-2H-furan-5-one has a molecular weight of 219.08 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-butyl-2H-furan-5-one is sourced from PubChem (CID 15864905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).