dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate

C10H8Br4O5 — CID 11071479

IUPACdimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate
SMILESCOC(=O)c1oc(C(Br)Br)c(C(Br)Br)c1C(=O)OC
InChIInChI=1S/C10H8Br4O5/c1-17-9(15)4-3(7(11)12)5(8(13)14)19-6(4)10(16)18-2/h7-8H,1-2H3
InChIKeySYPDJBBVPLVACO-UHFFFAOYSA-N
MW527.79 g/mol
LogP4.43
Rot. Bonds4

About dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate

dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate (PubChem CID 11071479) has the molecular formula C10H8Br4O5 and a molecular weight of 527.79 g/mol. Its IUPAC name is dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate
PubChem CID11071479
Molecular FormulaC10H8Br4O5
Molecular Weight527.79 g/mol
Exact Mass523.71
IUPAC Namedimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate
SMILESCOC(=O)c1oc(C(Br)Br)c(C(Br)Br)c1C(=O)OC
InChIInChI=1S/C10H8Br4O5/c1-17-9(15)4-3(7(11)12)5(8(13)14)19-6(4)10(16)18-2/h7-8H,1-2H3
InChIKeySYPDJBBVPLVACO-UHFFFAOYSA-N
XLogP4.43
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.79
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Methoxycarbonyl)-2-methylfuran-3-carboxylic acid
CID 18444677
Methyl 5-methoxy-2-methyl-4,7-dioxo-1-benzofuran-3-carboxylate
CID 102226313
2,3,4,5-Furantetracarboxylic acid, tetraethyl ester
CID 610755
2-Ethyl 3,4-dimethyl 5-methylfuran-2,3,4-tri-carboxylate
CID 11807749
Dimethyl 2-acetyl-5-methylfuran-3,4-dicarboxylate
CID 14387571
Triethyl 5-methylfuran-2,3,4-tricarboxylate
CID 71540450
Diethyl 2-acetyl-5-methylfuran-3,4-dicarboxylate
CID 129874366
Diethyl 5-methylfuran-2,3-dicarboxylate
CID 12691734
4,5-Dimethylfuran-2,3-dicarboxylic acid
CID 13868502
2,3-Diethyl 4-acetyl-5-methyl-2,3-furandicarboxylate
CID 66913318
2,4-Dimethyl-5-formylfuran-3-carboxylic acid ethyl ester
CID 85793152
Diethyl 4,5-Dimethylfuran-2,3-dicarboxylate
CID 101584291

Frequently Asked Questions

What is the IUPAC name of dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate?
The IUPAC name of dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate (CID 11071479) is dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate is COC(=O)c1oc(C(Br)Br)c(C(Br)Br)c1C(=O)OC.
What is the InChIKey of dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate?
The InChIKey is SYPDJBBVPLVACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br4O5/c1-17-9(15)4-3(7(11)12)5(8(13)14)19-6(4)10(16)18-2/h7-8H,1-2H3.
What are the key properties of dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate?
dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate has a molecular weight of 527.79 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4,5-bis(dibromomethyl)furan-2,3-dicarboxylate is sourced from PubChem (CID 11071479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).