2-butyl-5-methylfuran

C9H14O — CID 3333144

IUPAC2-butyl-5-methylfuran
SMILESCCCCc1ccc(C)o1
InChIInChI=1S/C9H14O/c1-3-4-5-9-7-6-8(2)10-9/h6-7H,3-5H2,1-2H3
InChIKeyCURSSBZSRIIIGX-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.93
Rot. Bonds3

About 2-butyl-5-methylfuran

2-butyl-5-methylfuran (PubChem CID 3333144) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-butyl-5-methylfuran.

Molecular Properties

Compound Name2-butyl-5-methylfuran
PubChem CID3333144
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-butyl-5-methylfuran
SMILESCCCCc1ccc(C)o1
InChIInChI=1S/C9H14O/c1-3-4-5-9-7-6-8(2)10-9/h6-7H,3-5H2,1-2H3
InChIKeyCURSSBZSRIIIGX-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methylfuran?
The IUPAC name of 2-butyl-5-methylfuran (CID 3333144) is 2-butyl-5-methylfuran.
What is the SMILES notation for 2-butyl-5-methylfuran?
The canonical SMILES for 2-butyl-5-methylfuran is CCCCc1ccc(C)o1.
What is the InChIKey of 2-butyl-5-methylfuran?
The InChIKey is CURSSBZSRIIIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-4-5-9-7-6-8(2)10-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-butyl-5-methylfuran?
2-butyl-5-methylfuran has a molecular weight of 138.21 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methylfuran is sourced from PubChem (CID 3333144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).