4-hexylfuran-3-carbaldehyde

C11H16O2 — CID 139709564

IUPAC4-hexylfuran-3-carbaldehyde
SMILESCCCCCCc1cocc1C=O
InChIInChI=1S/C11H16O2/c1-2-3-4-5-6-10-8-13-9-11(10)7-12/h7-9H,2-6H2,1H3
InChIKeyFCTHMHWYSRZGGU-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.21
Rot. Bonds6

About 4-hexylfuran-3-carbaldehyde

4-hexylfuran-3-carbaldehyde (PubChem CID 139709564) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-hexylfuran-3-carbaldehyde.

Molecular Properties

Compound Name4-hexylfuran-3-carbaldehyde
PubChem CID139709564
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-hexylfuran-3-carbaldehyde
SMILESCCCCCCc1cocc1C=O
InChIInChI=1S/C11H16O2/c1-2-3-4-5-6-10-8-13-9-11(10)7-12/h7-9H,2-6H2,1H3
InChIKeyFCTHMHWYSRZGGU-UHFFFAOYSA-N
XLogP3.21
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.21
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

3-dodecylfuran-2-carbaldehyde
CID 54442257
ethane;3-methyl-4-pentylfuran
CID 143814936
3-(3-formyl-2-hydroxy-6-octylphenyl)-2-hydroxy-4-octylbenzaldehyde
CID 101174824
2,3-dioctylbenzaldehyde
CID 175319778
CID 173140007
CID 173140007
2,4-dipentylbenzaldehyde
CID 19008550
4,5-di(tricosyl)furan-2-carbaldehyde
CID 177254410
[4-[[2,3,4-tri(pentacosyl)phenyl]methyliminomethyl]furan-3-yl]methanol
CID 177254425
2,3-difluoro-4-heptylbenzaldehyde;2,3-difluoro-4-pentylbenzaldehyde;2,3-difluoro-4-propylbenzaldehyde;4-ethyl-2,3-difluorobenzaldehyde
CID 159912257
3-docosyl-1H-pyrrole-2-carbaldehyde
CID 163030493
3-icosyl-1H-pyrrole-2-carbaldehyde
CID 162936507
3-(4-chlorophenyl)-4-hexylfuran
CID 91587269

Frequently Asked Questions

What is the IUPAC name of 4-hexylfuran-3-carbaldehyde?
The IUPAC name of 4-hexylfuran-3-carbaldehyde (CID 139709564) is 4-hexylfuran-3-carbaldehyde.
What is the SMILES notation for 4-hexylfuran-3-carbaldehyde?
The canonical SMILES for 4-hexylfuran-3-carbaldehyde is CCCCCCc1cocc1C=O.
What is the InChIKey of 4-hexylfuran-3-carbaldehyde?
The InChIKey is FCTHMHWYSRZGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-4-5-6-10-8-13-9-11(10)7-12/h7-9H,2-6H2,1H3.
What are the key properties of 4-hexylfuran-3-carbaldehyde?
4-hexylfuran-3-carbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexylfuran-3-carbaldehyde is sourced from PubChem (CID 139709564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).