5-(nonoxymethoxy)pent-4-enal

C15H28O3 — CID 162392763

IUPAC5-(nonoxymethoxy)pent-4-enal
SMILESCCCCCCCCCOCOC=CCCC=O
InChIInChI=1S/C15H28O3/c1-2-3-4-5-6-7-10-13-17-15-18-14-11-8-9-12-16/h11-12,14H,2-10,13,15H2,1H3
InChIKeyKLCCUHZYUDFDPR-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.22
Rot. Bonds14

About 5-(nonoxymethoxy)pent-4-enal

5-(nonoxymethoxy)pent-4-enal (PubChem CID 162392763) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-(nonoxymethoxy)pent-4-enal.

Molecular Properties

Compound Name5-(nonoxymethoxy)pent-4-enal
PubChem CID162392763
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name5-(nonoxymethoxy)pent-4-enal
SMILESCCCCCCCCCOCOC=CCCC=O
InChIInChI=1S/C15H28O3/c1-2-3-4-5-6-7-10-13-17-15-18-14-11-8-9-12-16/h11-12,14H,2-10,13,15H2,1H3
InChIKeyKLCCUHZYUDFDPR-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

12-(hexoxymethoxy)dodec-11-enal
CID 162392745
14-(decoxymethoxy)tetradec-13-enal
CID 162392403
8-(decoxymethoxy)oct-7-enal
CID 162392517
13-(propoxymethoxy)tridec-12-enal
CID 162392784
8-(propoxymethoxy)oct-7-enal
CID 162392540
1-(5,5-dihexoxypent-1-enoxymethoxy)octane
CID 162392615
3-heptoxypropanal
CID 59708059
1-(5,5-dipropoxypent-1-enoxymethoxy)octane
CID 162392746
1-(decoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163206012
12,12-diheptoxy-1-(hexoxymethoxy)dodec-1-ene
CID 163205820
12,12-dihexoxy-1-(nonoxymethoxy)dodec-1-ene
CID 163205535
7,7-diethoxy-1-(hexoxymethoxy)hept-1-ene
CID 162392678

Frequently Asked Questions

What is the IUPAC name of 5-(nonoxymethoxy)pent-4-enal?
The IUPAC name of 5-(nonoxymethoxy)pent-4-enal (CID 162392763) is 5-(nonoxymethoxy)pent-4-enal.
What is the SMILES notation for 5-(nonoxymethoxy)pent-4-enal?
The canonical SMILES for 5-(nonoxymethoxy)pent-4-enal is CCCCCCCCCOCOC=CCCC=O.
What is the InChIKey of 5-(nonoxymethoxy)pent-4-enal?
The InChIKey is KLCCUHZYUDFDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-2-3-4-5-6-7-10-13-17-15-18-14-11-8-9-12-16/h11-12,14H,2-10,13,15H2,1H3.
What are the key properties of 5-(nonoxymethoxy)pent-4-enal?
5-(nonoxymethoxy)pent-4-enal has a molecular weight of 256.39 g/mol, XLogP of 4.22, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(nonoxymethoxy)pent-4-enal is sourced from PubChem (CID 162392763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).