3-ethyl-2-propylfuran

C9H14O — CID 12555083

IUPAC3-ethyl-2-propylfuran
SMILESCCCc1occc1CC
InChIInChI=1S/C9H14O/c1-3-5-9-8(4-2)6-7-10-9/h6-7H,3-5H2,1-2H3
InChIKeyXBOWTCYVPAVSOJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.79
Rot. Bonds3

About 3-ethyl-2-propylfuran

3-ethyl-2-propylfuran (PubChem CID 12555083) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-ethyl-2-propylfuran.

Molecular Properties

Compound Name3-ethyl-2-propylfuran
PubChem CID12555083
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-ethyl-2-propylfuran
SMILESCCCc1occc1CC
InChIInChI=1S/C9H14O/c1-3-5-9-8(4-2)6-7-10-9/h6-7H,3-5H2,1-2H3
InChIKeyXBOWTCYVPAVSOJ-UHFFFAOYSA-N
XLogP2.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propylfuran?
The IUPAC name of 3-ethyl-2-propylfuran (CID 12555083) is 3-ethyl-2-propylfuran.
What is the SMILES notation for 3-ethyl-2-propylfuran?
The canonical SMILES for 3-ethyl-2-propylfuran is CCCc1occc1CC.
What is the InChIKey of 3-ethyl-2-propylfuran?
The InChIKey is XBOWTCYVPAVSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-5-9-8(4-2)6-7-10-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-propylfuran?
3-ethyl-2-propylfuran has a molecular weight of 138.21 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propylfuran is sourced from PubChem (CID 12555083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).