methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate

C9H10Cl2O4 — CID 11436692

IUPACmethyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1OC(=O)C(Cl)=C1Cl
InChIInChI=1S/C9H10Cl2O4/c1-9(2,8(13)14-3)6-4(10)5(11)7(12)15-6/h6H,1-3H3
InChIKeyVNUIDMDDADNJGD-UHFFFAOYSA-N
MW253.08 g/mol
LogP1.80
Rot. Bonds2

About methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate

methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate (PubChem CID 11436692) has the molecular formula C9H10Cl2O4 and a molecular weight of 253.08 g/mol. Its IUPAC name is methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate
PubChem CID11436692
Molecular FormulaC9H10Cl2O4
Molecular Weight253.08 g/mol
Exact Mass252.00
IUPAC Namemethyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1OC(=O)C(Cl)=C1Cl
InChIInChI=1S/C9H10Cl2O4/c1-9(2,8(13)14-3)6-4(10)5(11)7(12)15-6/h6H,1-3H3
InChIKeyVNUIDMDDADNJGD-UHFFFAOYSA-N
XLogP1.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dichloro-2-methyl-muconolactone
CID 9543300
diethyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-ethylpropanedioate
CID 11186814
diethyl 2-chloro-2-(3,4-dichloro-5-oxo-2H-furan-2-yl)propanedioate
CID 11198768
2-(3,4-dichloro-5-oxo-2H-furan-2-yl)propanoic acid
CID 11229853
diethyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)propanedioate
CID 11370337
diethyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanedioate
CID 11324806
dipropan-2-yl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)propanedioate
CID 11348353
methyl 2-[(2S)-3,4-dichloro-5-oxo-2H-furan-2-yl]propanoate
CID 11506969
methyl 2-[(2R)-3,4-dichloro-5-oxo-2H-furan-2-yl]propanoate
CID 11528828
methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)propanoate
CID 11601145
2,2,2-trichloroethyl (2Z)-2-(4,4-dimethyloxolan-2-ylidene)-3-ethoxybutanoate
CID 101459176
methyl 2-chloro-2-(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)acetate
CID 101988045

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate (CID 11436692) is methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate is COC(=O)C(C)(C)C1OC(=O)C(Cl)=C1Cl.
What is the InChIKey of methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate?
The InChIKey is VNUIDMDDADNJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O4/c1-9(2,8(13)14-3)6-4(10)5(11)7(12)15-6/h6H,1-3H3.
What are the key properties of methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate?
methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate has a molecular weight of 253.08 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)-2-methylpropanoate is sourced from PubChem (CID 11436692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).