methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate

C10H15BrO3 — CID 70613918

IUPACmethyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(C(C)(C)Br)C1
InChIInChI=1S/C10H15BrO3/c1-6-7(9(12)13-4)5-8(14-6)10(2,3)11/h8H,5H2,1-4H3
InChIKeyNVFJSMIHMGSKNR-UHFFFAOYSA-N
MW263.13 g/mol
LogP2.40
Rot. Bonds2

About methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate

methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 70613918) has the molecular formula C10H15BrO3 and a molecular weight of 263.13 g/mol. Its IUPAC name is methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID70613918
Molecular FormulaC10H15BrO3
Molecular Weight263.13 g/mol
Exact Mass262.02
IUPAC Namemethyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(C)OC(C(C)(C)Br)C1
InChIInChI=1S/C10H15BrO3/c1-6-7(9(12)13-4)5-8(14-6)10(2,3)11/h8H,5H2,1-4H3
InChIKeyNVFJSMIHMGSKNR-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 70613918) is methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate is COC(=O)C1=C(C)OC(C(C)(C)Br)C1.
What is the InChIKey of methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is NVFJSMIHMGSKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO3/c1-6-7(9(12)13-4)5-8(14-6)10(2,3)11/h8H,5H2,1-4H3.
What are the key properties of methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate?
methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 263.13 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromopropan-2-yl)-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 70613918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).