furan-3-ylmethyl 4-methylpentanoate

C11H16O3 — CID 171935629

IUPACfuran-3-ylmethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OCc1ccoc1
InChIInChI=1S/C11H16O3/c1-9(2)3-4-11(12)14-8-10-5-6-13-7-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyJBCHLMXZGBNCQZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.76
Rot. Bonds5

About furan-3-ylmethyl 4-methylpentanoate

furan-3-ylmethyl 4-methylpentanoate (PubChem CID 171935629) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is furan-3-ylmethyl 4-methylpentanoate.

Molecular Properties

Compound Namefuran-3-ylmethyl 4-methylpentanoate
PubChem CID171935629
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namefuran-3-ylmethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OCc1ccoc1
InChIInChI=1S/C11H16O3/c1-9(2)3-4-11(12)14-8-10-5-6-13-7-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyJBCHLMXZGBNCQZ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl 4-methylpentanoate?
The IUPAC name of furan-3-ylmethyl 4-methylpentanoate (CID 171935629) is furan-3-ylmethyl 4-methylpentanoate.
What is the SMILES notation for furan-3-ylmethyl 4-methylpentanoate?
The canonical SMILES for furan-3-ylmethyl 4-methylpentanoate is CC(C)CCC(=O)OCc1ccoc1.
What is the InChIKey of furan-3-ylmethyl 4-methylpentanoate?
The InChIKey is JBCHLMXZGBNCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-9(2)3-4-11(12)14-8-10-5-6-13-7-10/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of furan-3-ylmethyl 4-methylpentanoate?
furan-3-ylmethyl 4-methylpentanoate has a molecular weight of 196.25 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl 4-methylpentanoate is sourced from PubChem (CID 171935629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).