furan-2-yl 2-methylbutanoate

C9H12O3 — CID 54136834

IUPACfuran-2-yl 2-methylbutanoate
SMILESCCC(C)C(=O)Oc1ccco1
InChIInChI=1S/C9H12O3/c1-3-7(2)9(10)12-8-5-4-6-11-8/h4-7H,3H2,1-2H3
InChIKeyNYHUTAMSTYEXNI-UHFFFAOYSA-N
MW168.19 g/mol
LogP2.23
Rot. Bonds3

About furan-2-yl 2-methylbutanoate

furan-2-yl 2-methylbutanoate (PubChem CID 54136834) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is furan-2-yl 2-methylbutanoate.

Molecular Properties

Compound Namefuran-2-yl 2-methylbutanoate
PubChem CID54136834
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Namefuran-2-yl 2-methylbutanoate
SMILESCCC(C)C(=O)Oc1ccco1
InChIInChI=1S/C9H12O3/c1-3-7(2)9(10)12-8-5-4-6-11-8/h4-7H,3H2,1-2H3
InChIKeyNYHUTAMSTYEXNI-UHFFFAOYSA-N
XLogP2.23
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl 2-methylbutanoate?
The IUPAC name of furan-2-yl 2-methylbutanoate (CID 54136834) is furan-2-yl 2-methylbutanoate.
What is the SMILES notation for furan-2-yl 2-methylbutanoate?
The canonical SMILES for furan-2-yl 2-methylbutanoate is CCC(C)C(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl 2-methylbutanoate?
The InChIKey is NYHUTAMSTYEXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-3-7(2)9(10)12-8-5-4-6-11-8/h4-7H,3H2,1-2H3.
What are the key properties of furan-2-yl 2-methylbutanoate?
furan-2-yl 2-methylbutanoate has a molecular weight of 168.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl 2-methylbutanoate is sourced from PubChem (CID 54136834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).