5-undec-10-enoxythiophene-2-carbaldehyde

C16H24O2S — CID 21450430

IUPAC5-undec-10-enoxythiophene-2-carbaldehyde
SMILESC=CCCCCCCCCCOc1ccc(C=O)s1
InChIInChI=1S/C16H24O2S/c1-2-3-4-5-6-7-8-9-10-13-18-16-12-11-15(14-17)19-16/h2,11-12,14H,1,3-10,13H2
InChIKeyNMRJVKSNSGCEJO-UHFFFAOYSA-N
MW280.43 g/mol
LogP5.25
Rot. Bonds12

About 5-undec-10-enoxythiophene-2-carbaldehyde

5-undec-10-enoxythiophene-2-carbaldehyde (PubChem CID 21450430) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is 5-undec-10-enoxythiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-undec-10-enoxythiophene-2-carbaldehyde
PubChem CID21450430
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Name5-undec-10-enoxythiophene-2-carbaldehyde
SMILESC=CCCCCCCCCCOc1ccc(C=O)s1
InChIInChI=1S/C16H24O2S/c1-2-3-4-5-6-7-8-9-10-13-18-16-12-11-15(14-17)19-16/h2,11-12,14H,1,3-10,13H2
InChIKeyNMRJVKSNSGCEJO-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
3,5-bis(4-undec-10-enoxyphenyl)benzaldehyde
CID 102474145
4-hept-6-enoxy-3,5-dimethylbenzaldehyde
CID 107007315
2-hydroxy-5-undec-10-enoxybenzaldehyde
CID 21260819
3-hept-6-enoxy-4-methoxybenzaldehyde
CID 107007313
3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde
CID 107007333
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
3-fluoro-5-hept-6-enoxybenzaldehyde
CID 107007342
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
12-dodec-11-enoxydodec-1-ene
CID 87325659
2-hept-6-enoxyisoindole-1,3-dione
CID 162768811
4-undec-10-enoxybenzoate
CID 7009276

Frequently Asked Questions

What is the IUPAC name of 5-undec-10-enoxythiophene-2-carbaldehyde?
The IUPAC name of 5-undec-10-enoxythiophene-2-carbaldehyde (CID 21450430) is 5-undec-10-enoxythiophene-2-carbaldehyde.
What is the SMILES notation for 5-undec-10-enoxythiophene-2-carbaldehyde?
The canonical SMILES for 5-undec-10-enoxythiophene-2-carbaldehyde is C=CCCCCCCCCCOc1ccc(C=O)s1.
What is the InChIKey of 5-undec-10-enoxythiophene-2-carbaldehyde?
The InChIKey is NMRJVKSNSGCEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2S/c1-2-3-4-5-6-7-8-9-10-13-18-16-12-11-15(14-17)19-16/h2,11-12,14H,1,3-10,13H2.
What are the key properties of 5-undec-10-enoxythiophene-2-carbaldehyde?
5-undec-10-enoxythiophene-2-carbaldehyde has a molecular weight of 280.43 g/mol, XLogP of 5.25, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-undec-10-enoxythiophene-2-carbaldehyde is sourced from PubChem (CID 21450430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).