furan-3-ylmethyl 3-methylbutanoate

C10H14O3 — CID 171935625

IUPACfuran-3-ylmethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCc1ccoc1
InChIInChI=1S/C10H14O3/c1-8(2)5-10(11)13-7-9-3-4-12-6-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyYBGBIWDKZRHQAW-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.37
Rot. Bonds4

About furan-3-ylmethyl 3-methylbutanoate

furan-3-ylmethyl 3-methylbutanoate (PubChem CID 171935625) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is furan-3-ylmethyl 3-methylbutanoate.

Molecular Properties

Compound Namefuran-3-ylmethyl 3-methylbutanoate
PubChem CID171935625
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namefuran-3-ylmethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCc1ccoc1
InChIInChI=1S/C10H14O3/c1-8(2)5-10(11)13-7-9-3-4-12-6-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyYBGBIWDKZRHQAW-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl 3-methylbutanoate?
The IUPAC name of furan-3-ylmethyl 3-methylbutanoate (CID 171935625) is furan-3-ylmethyl 3-methylbutanoate.
What is the SMILES notation for furan-3-ylmethyl 3-methylbutanoate?
The canonical SMILES for furan-3-ylmethyl 3-methylbutanoate is CC(C)CC(=O)OCc1ccoc1.
What is the InChIKey of furan-3-ylmethyl 3-methylbutanoate?
The InChIKey is YBGBIWDKZRHQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(2)5-10(11)13-7-9-3-4-12-6-9/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of furan-3-ylmethyl 3-methylbutanoate?
furan-3-ylmethyl 3-methylbutanoate has a molecular weight of 182.22 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl 3-methylbutanoate is sourced from PubChem (CID 171935625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).