2-methylbutyl furan-2-carboxylate

C10H14O3 — CID 91700543

IUPAC2-methylbutyl furan-2-carboxylate
SMILESCCC(C)COC(=O)c1ccco1
InChIInChI=1S/C10H14O3/c1-3-8(2)7-13-10(11)9-5-4-6-12-9/h4-6,8H,3,7H2,1-2H3
InChIKeyGLMGGZVFOBEKPB-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.48
Rot. Bonds4

About 2-methylbutyl furan-2-carboxylate

2-methylbutyl furan-2-carboxylate (PubChem CID 91700543) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methylbutyl furan-2-carboxylate.

Molecular Properties

Compound Name2-methylbutyl furan-2-carboxylate
PubChem CID91700543
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-methylbutyl furan-2-carboxylate
SMILESCCC(C)COC(=O)c1ccco1
InChIInChI=1S/C10H14O3/c1-3-8(2)7-13-10(11)9-5-4-6-12-9/h4-6,8H,3,7H2,1-2H3
InChIKeyGLMGGZVFOBEKPB-UHFFFAOYSA-N
XLogP2.48
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl furan-2-carboxylate?
The IUPAC name of 2-methylbutyl furan-2-carboxylate (CID 91700543) is 2-methylbutyl furan-2-carboxylate.
What is the SMILES notation for 2-methylbutyl furan-2-carboxylate?
The canonical SMILES for 2-methylbutyl furan-2-carboxylate is CCC(C)COC(=O)c1ccco1.
What is the InChIKey of 2-methylbutyl furan-2-carboxylate?
The InChIKey is GLMGGZVFOBEKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-8(2)7-13-10(11)9-5-4-6-12-9/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 2-methylbutyl furan-2-carboxylate?
2-methylbutyl furan-2-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl furan-2-carboxylate is sourced from PubChem (CID 91700543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).