2-methylpropyl 3-(furan-2-yl)propanoate

C11H16O3 — CID 7733

IUPAC2-methylpropyl 3-(furan-2-yl)propanoate
SMILESCC(C)COC(=O)CCc1ccco1
InChIInChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeySVDPTFHRRNUNRS-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.41
Rot. Bonds5

About 2-methylpropyl 3-(furan-2-yl)propanoate

2-methylpropyl 3-(furan-2-yl)propanoate (PubChem CID 7733) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methylpropyl 3-(furan-2-yl)propanoate.

Molecular Properties

Compound Name2-methylpropyl 3-(furan-2-yl)propanoate
PubChem CID7733
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-methylpropyl 3-(furan-2-yl)propanoate
SMILESCC(C)COC(=O)CCc1ccco1
InChIInChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeySVDPTFHRRNUNRS-UHFFFAOYSA-N
XLogP2.41
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-(furan-2-yl)propanoate?
The IUPAC name of 2-methylpropyl 3-(furan-2-yl)propanoate (CID 7733) is 2-methylpropyl 3-(furan-2-yl)propanoate.
What is the SMILES notation for 2-methylpropyl 3-(furan-2-yl)propanoate?
The canonical SMILES for 2-methylpropyl 3-(furan-2-yl)propanoate is CC(C)COC(=O)CCc1ccco1.
What is the InChIKey of 2-methylpropyl 3-(furan-2-yl)propanoate?
The InChIKey is SVDPTFHRRNUNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 2-methylpropyl 3-(furan-2-yl)propanoate?
2-methylpropyl 3-(furan-2-yl)propanoate has a molecular weight of 196.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-(furan-2-yl)propanoate is sourced from PubChem (CID 7733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).