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

C9H10Br2O2 — CID 56836367

IUPAC3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one
SMILESCCC1=C(Br)C(/C=C(/C)Br)OC1=O
InChIInChI=1S/C9H10Br2O2/c1-3-6-8(11)7(4-5(2)10)13-9(6)12/h4,7H,3H2,1-2H3/b5-4-
InChIKeyDVTVCFNIOGLEPD-PLNGDYQASA-N
MW309.99 g/mol
LogP3.27
Rot. Bonds2

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

3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one (PubChem CID 56836367) has the molecular formula C9H10Br2O2 and a molecular weight of 309.99 g/mol. Its IUPAC name is 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one.

Molecular Properties

Compound Name3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one
PubChem CID56836367
Molecular FormulaC9H10Br2O2
Molecular Weight309.99 g/mol
Exact Mass307.90
IUPAC Name3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one
SMILESCCC1=C(Br)C(/C=C(/C)Br)OC1=O
InChIInChI=1S/C9H10Br2O2/c1-3-6-8(11)7(4-5(2)10)13-9(6)12/h4,7H,3H2,1-2H3/b5-4-
InChIKeyDVTVCFNIOGLEPD-PLNGDYQASA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 53.27
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
3-ethyl-5-methyl-2(5H)-furanone
CID 12320139
3,4-dibromo-2-(2-methylprop-2-enyl)-2H-furan-5-one
CID 9994689
2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one
CID 14200711
2,4-diethyl-2H-furan-5-one
CID 68023935
Ethyl 3-bromo-7-oxabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CID 118518877
3-(1-bromoethyl)-5H-furan-2-one
CID 13902459
4-(bromomethyl)-2-methyl-2H-furan-5-one
CID 12258902
(2S)-2-[(1R)-1-bromoethyl]-4-methyl-2H-furan-5-one
CID 130763673
3-Methyl-1-tribromomethyl-2-butenyl acetoacetate
CID 12525205
3,4-dibromo-2-(3-methylbut-2-enyl)-2H-furan-5-one
CID 21037688
3-bromo-2-[(Z)-2-bromoethenyl]-4-propyl-2H-furan-5-one
CID 56836365

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one?
The IUPAC name of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one (CID 56836367) is 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one.
What is the SMILES notation for 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one?
The canonical SMILES for 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one is CCC1=C(Br)C(/C=C(/C)Br)OC1=O.
What is the InChIKey of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one?
The InChIKey is DVTVCFNIOGLEPD-PLNGDYQASA-N. The full InChI is InChI=1S/C9H10Br2O2/c1-3-6-8(11)7(4-5(2)10)13-9(6)12/h4,7H,3H2,1-2H3/b5-4-.
What are the key properties of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one?
3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-ethyl-2H-furan-5-one has a molecular weight of 309.99 g/mol, XLogP of 3.27, 2 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-ethyl-2H-furan-5-one is sourced from PubChem (CID 56836367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).