2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one

C8H8Cl2O2 — CID 10242101

IUPAC2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one
SMILESC=CC(C)C1OC(=O)C(Cl)=C1Cl
InChIInChI=1S/C8H8Cl2O2/c1-3-4(2)7-5(9)6(10)8(11)12-7/h3-4,7H,1H2,2H3
InChIKeyYREGBQYXAOQJOI-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.42
Rot. Bonds2

About 2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one

2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one (PubChem CID 10242101) has the molecular formula C8H8Cl2O2 and a molecular weight of 207.06 g/mol. Its IUPAC name is 2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one.

Molecular Properties

Compound Name2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one
PubChem CID10242101
Molecular FormulaC8H8Cl2O2
Molecular Weight207.06 g/mol
Exact Mass205.99
IUPAC Name2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one
SMILESC=CC(C)C1OC(=O)C(Cl)=C1Cl
InChIInChI=1S/C8H8Cl2O2/c1-3-4(2)7-5(9)6(10)8(11)12-7/h3-4,7H,1H2,2H3
InChIKeyYREGBQYXAOQJOI-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2(5H)-Furanone, 3,4-dichloro-5-(2-propenyl)-
CID 10104059
2(5H)-Furanone, 3,4-dichloro-5-(2-methyl-2-propenyl)-
CID 11321712
3,4-dichloro-2-(3-methylbut-2-enyl)-2H-furan-5-one
CID 101253439
ethyl (E,4R,5R)-6,6,6-trichloro-5-hydroxy-4-methylhex-2-enoate
CID 177547027

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one?
The IUPAC name of 2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one (CID 10242101) is 2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one.
What is the SMILES notation for 2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one?
The canonical SMILES for 2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one is C=CC(C)C1OC(=O)C(Cl)=C1Cl.
What is the InChIKey of 2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one?
The InChIKey is YREGBQYXAOQJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2/c1-3-4(2)7-5(9)6(10)8(11)12-7/h3-4,7H,1H2,2H3.
What are the key properties of 2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one?
2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one has a molecular weight of 207.06 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-3,4-dichloro-2H-furan-5-one is sourced from PubChem (CID 10242101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).