2-pentylfuran

C9H14O — CID 19602

IUPAC2-pentylfuran
SMILESCCCCCc1ccco1
InChIInChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKeyYVBAUDVGOFCUSG-UHFFFAOYSA-N
MW138.21 g/mol
LogP3.01
Rot. Bonds4

About 2-pentylfuran

2-pentylfuran (PubChem CID 19602) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-pentylfuran.

Molecular Properties

Compound Name2-pentylfuran
PubChem CID19602
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-pentylfuran
SMILESCCCCCc1ccco1
InChIInChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKeyYVBAUDVGOFCUSG-UHFFFAOYSA-N
XLogP3.01
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethylfuran
CID 12266
2-Methylfuran
CID 10797
5-Methylfurfural
CID 12097
2-Acetylfuran
CID 14505
2-Ethylfuran
CID 18554
2-Butylfuran
CID 20534
2-Ethyl-5-methylfuran
CID 74346
Furfuryl isopropyl sulfide
CID 61282
2-Heptylfuran
CID 19603
2-Furyl pentyl ketone
CID 61738
Furfuryl methyl ketone
CID 228583
2-Butyrylfuran
CID 228588

Frequently Asked Questions

What is the IUPAC name of 2-pentylfuran?
The IUPAC name of 2-pentylfuran (CID 19602) is 2-pentylfuran.
What is the SMILES notation for 2-pentylfuran?
The canonical SMILES for 2-pentylfuran is CCCCCc1ccco1.
What is the InChIKey of 2-pentylfuran?
The InChIKey is YVBAUDVGOFCUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 2-pentylfuran?
2-pentylfuran has a molecular weight of 138.21 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylfuran is sourced from PubChem (CID 19602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).