propan-2-yl 2,4,5-trimethylfuran-3-carboxylate

C11H16O3 — CID 60704456

IUPACpropan-2-yl 2,4,5-trimethylfuran-3-carboxylate
SMILESCc1oc(C)c(C(=O)OC(C)C)c1C
InChIInChI=1S/C11H16O3/c1-6(2)13-11(12)10-7(3)8(4)14-9(10)5/h6H,1-5H3
InChIKeyWPFRJJGWANBGMH-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.77
Rot. Bonds2

About propan-2-yl 2,4,5-trimethylfuran-3-carboxylate

propan-2-yl 2,4,5-trimethylfuran-3-carboxylate (PubChem CID 60704456) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is propan-2-yl 2,4,5-trimethylfuran-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2,4,5-trimethylfuran-3-carboxylate
PubChem CID60704456
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namepropan-2-yl 2,4,5-trimethylfuran-3-carboxylate
SMILESCc1oc(C)c(C(=O)OC(C)C)c1C
InChIInChI=1S/C11H16O3/c1-6(2)13-11(12)10-7(3)8(4)14-9(10)5/h6H,1-5H3
InChIKeyWPFRJJGWANBGMH-UHFFFAOYSA-N
XLogP2.77
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,4,5-trimethylfuran-3-carboxylate?
The IUPAC name of propan-2-yl 2,4,5-trimethylfuran-3-carboxylate (CID 60704456) is propan-2-yl 2,4,5-trimethylfuran-3-carboxylate.
What is the SMILES notation for propan-2-yl 2,4,5-trimethylfuran-3-carboxylate?
The canonical SMILES for propan-2-yl 2,4,5-trimethylfuran-3-carboxylate is Cc1oc(C)c(C(=O)OC(C)C)c1C.
What is the InChIKey of propan-2-yl 2,4,5-trimethylfuran-3-carboxylate?
The InChIKey is WPFRJJGWANBGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-6(2)13-11(12)10-7(3)8(4)14-9(10)5/h6H,1-5H3.
What are the key properties of propan-2-yl 2,4,5-trimethylfuran-3-carboxylate?
propan-2-yl 2,4,5-trimethylfuran-3-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,4,5-trimethylfuran-3-carboxylate is sourced from PubChem (CID 60704456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).