4-(furan-2-yl)butanal

C8H10O2 — CID 14455558

IUPAC4-(furan-2-yl)butanal
SMILESO=CCCCc1ccco1
InChIInChI=1S/C8H10O2/c9-6-2-1-4-8-5-3-7-10-8/h3,5-7H,1-2,4H2
InChIKeyOHGIKUNHQBZOMM-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.80
Rot. Bonds4

About 4-(furan-2-yl)butanal

4-(furan-2-yl)butanal (PubChem CID 14455558) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-(furan-2-yl)butanal.

Molecular Properties

Compound Name4-(furan-2-yl)butanal
PubChem CID14455558
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-(furan-2-yl)butanal
SMILESO=CCCCc1ccco1
InChIInChI=1S/C8H10O2/c9-6-2-1-4-8-5-3-7-10-8/h3,5-7H,1-2,4H2
InChIKeyOHGIKUNHQBZOMM-UHFFFAOYSA-N
XLogP1.80
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-yl)propyl]formamide
CID 87322197
5-(furan-2-yl)pentyl formate
CID 87851919
6-(furan-2-yl)hexyl formate
CID 87852506
2-(3-chloropropyl)furan
CID 12549641
3-(furan-2-yl)propane-1-thiol
CID 12549643
7-(furan-2-yl)hept-2-ynal
CID 102105207
2-but-3-enylfuran
CID 11977163
11-(furan-2-yl)undecan-1-ol
CID 139763920
(Z)-5-(furan-2-yl)pent-3-enal
CID 117268161
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan
CID 67684448
ethane;2-(3-methoxypropyl)furan
CID 144595726

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)butanal?
The IUPAC name of 4-(furan-2-yl)butanal (CID 14455558) is 4-(furan-2-yl)butanal.
What is the SMILES notation for 4-(furan-2-yl)butanal?
The canonical SMILES for 4-(furan-2-yl)butanal is O=CCCCc1ccco1.
What is the InChIKey of 4-(furan-2-yl)butanal?
The InChIKey is OHGIKUNHQBZOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-6-2-1-4-8-5-3-7-10-8/h3,5-7H,1-2,4H2.
What are the key properties of 4-(furan-2-yl)butanal?
4-(furan-2-yl)butanal has a molecular weight of 138.17 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)butanal is sourced from PubChem (CID 14455558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).