4,5-di(tricosyl)furan-2-carbaldehyde

C51H96O2 — CID 177254410

IUPAC4,5-di(tricosyl)furan-2-carbaldehyde
SMILESCCCCCCCCCCCCCCCCCCCCCCCc1cc(C=O)oc1CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H96O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49-47-50(48-52)53-51(49)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-48H,3-46H2,1-2H3
InChIKeyXJQSZAIFZZAELA-UHFFFAOYSA-N
MW741.33 g/mol
LogP18.60
Rot. Bonds45

About 4,5-di(tricosyl)furan-2-carbaldehyde

4,5-di(tricosyl)furan-2-carbaldehyde (PubChem CID 177254410) has the molecular formula C51H96O2 and a molecular weight of 741.33 g/mol. Its IUPAC name is 4,5-di(tricosyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name4,5-di(tricosyl)furan-2-carbaldehyde
PubChem CID177254410
Molecular FormulaC51H96O2
Molecular Weight741.33 g/mol
Exact Mass740.74
IUPAC Name4,5-di(tricosyl)furan-2-carbaldehyde
SMILESCCCCCCCCCCCCCCCCCCCCCCCc1cc(C=O)oc1CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H96O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49-47-50(48-52)53-51(49)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-48H,3-46H2,1-2H3
InChIKeyXJQSZAIFZZAELA-UHFFFAOYSA-N
XLogP18.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds45
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.33
LogP ≤ 518.60
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

2,3,5-triheptylfuran
CID 165157097
3-decyl-1,2-oxazole-5-carbaldehyde
CID 18372911
5-[5-(5-formylfuran-2-yl)-4-hexylthiophen-2-yl]furan-2-carbaldehyde
CID 132550017
3-dodecylfuran-2-carbaldehyde
CID 54442257
4-hexylfuran-3-carbaldehyde
CID 139709564
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
3,4-dimethyl-5-pentylfuran-2-carbaldehyde
CID 12741721
3-docosyl-1H-pyrrole-2-carbaldehyde
CID 163030493
3-icosyl-1H-pyrrole-2-carbaldehyde
CID 162936507
2,5-dibutylfuran-3-carbaldehyde
CID 135080458
2-methyl-6-octadecyl-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene
CID 18519368
2,4-dipentylbenzaldehyde
CID 19008550

Frequently Asked Questions

What is the IUPAC name of 4,5-di(tricosyl)furan-2-carbaldehyde?
The IUPAC name of 4,5-di(tricosyl)furan-2-carbaldehyde (CID 177254410) is 4,5-di(tricosyl)furan-2-carbaldehyde.
What is the SMILES notation for 4,5-di(tricosyl)furan-2-carbaldehyde?
The canonical SMILES for 4,5-di(tricosyl)furan-2-carbaldehyde is CCCCCCCCCCCCCCCCCCCCCCCc1cc(C=O)oc1CCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 4,5-di(tricosyl)furan-2-carbaldehyde?
The InChIKey is XJQSZAIFZZAELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H96O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49-47-50(48-52)53-51(49)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-48H,3-46H2,1-2H3.
What are the key properties of 4,5-di(tricosyl)furan-2-carbaldehyde?
4,5-di(tricosyl)furan-2-carbaldehyde has a molecular weight of 741.33 g/mol, XLogP of 18.60, 45 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(tricosyl)furan-2-carbaldehyde is sourced from PubChem (CID 177254410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).