furan-2-ylmethyl 2-methylbutanoate

C10H14O3 — CID 20560364

IUPACfuran-2-ylmethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCc1ccco1
InChIInChI=1S/C10H14O3/c1-3-8(2)10(11)13-7-9-5-4-6-12-9/h4-6,8H,3,7H2,1-2H3
InChIKeyFWHTZOMSKMABHQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.37
Rot. Bonds4

About furan-2-ylmethyl 2-methylbutanoate

furan-2-ylmethyl 2-methylbutanoate (PubChem CID 20560364) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is furan-2-ylmethyl 2-methylbutanoate.

Molecular Properties

Compound Namefuran-2-ylmethyl 2-methylbutanoate
PubChem CID20560364
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namefuran-2-ylmethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCc1ccco1
InChIInChI=1S/C10H14O3/c1-3-8(2)10(11)13-7-9-5-4-6-12-9/h4-6,8H,3,7H2,1-2H3
InChIKeyFWHTZOMSKMABHQ-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-2-ylmethyl 2-methylbutanoate?
The IUPAC name of furan-2-ylmethyl 2-methylbutanoate (CID 20560364) is furan-2-ylmethyl 2-methylbutanoate.
What is the SMILES notation for furan-2-ylmethyl 2-methylbutanoate?
The canonical SMILES for furan-2-ylmethyl 2-methylbutanoate is CCC(C)C(=O)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl 2-methylbutanoate?
The InChIKey is FWHTZOMSKMABHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-8(2)10(11)13-7-9-5-4-6-12-9/h4-6,8H,3,7H2,1-2H3.
What are the key properties of furan-2-ylmethyl 2-methylbutanoate?
furan-2-ylmethyl 2-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-2-ylmethyl 2-methylbutanoate is sourced from PubChem (CID 20560364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).