2-octylundec-2-enal;pent-2-enal

C24H44O2 — CID 173412811

IUPAC2-octylundec-2-enal;pent-2-enal
SMILESCCC=CC=O.CCCCCCCCC=C(C=O)CCCCCCCC
InChIInChI=1S/C19H36O.C5H8O/c1-3-5-7-9-11-13-15-17-19(18-20)16-14-12-10-8-6-4-2;1-2-3-4-5-6/h17-18H,3-16H2,1-2H3;3-5H,2H2,1H3
InChIKeyPUQXEXBHDLRZPX-UHFFFAOYSA-N
MW364.61 g/mol
LogP7.76
Rot. Bonds17

About 2-octylundec-2-enal;pent-2-enal

2-octylundec-2-enal;pent-2-enal (PubChem CID 173412811) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is 2-octylundec-2-enal;pent-2-enal.

Molecular Properties

Compound Name2-octylundec-2-enal;pent-2-enal
PubChem CID173412811
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name2-octylundec-2-enal;pent-2-enal
SMILESCCC=CC=O.CCCCCCCCC=C(C=O)CCCCCCCC
InChIInChI=1S/C19H36O.C5H8O/c1-3-5-7-9-11-13-15-17-19(18-20)16-14-12-10-8-6-4-2;1-2-3-4-5-6/h17-18H,3-16H2,1-2H3;3-5H,2H2,1H3
InChIKeyPUQXEXBHDLRZPX-UHFFFAOYSA-N
XLogP7.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 57.76
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-heptyldodec-2-enal;hex-2-enal
CID 88679178
2-hexylidenenonanal
CID 54074680
2-octadecyldocos-2-enal
CID 54072385
2-pentylideneoctanal
CID 57053473
2-(2-chloroethyl)tricos-2-enal
CID 175199289
(Z)-2-dodec-9-enoyltetradec-2-enal
CID 173023649
(Z,5Z)-5-heptylidene-17-oxoheptadec-15-enoic acid
CID 87998455
(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335
(E)-dec-2-enal
CID 5283345
2-formyldec-2-enoic acid
CID 175590598
8-hydroxy-2-(4-hydroxybutyl)oct-2-enal
CID 73110484

Frequently Asked Questions

What is the IUPAC name of 2-octylundec-2-enal;pent-2-enal?
The IUPAC name of 2-octylundec-2-enal;pent-2-enal (CID 173412811) is 2-octylundec-2-enal;pent-2-enal.
What is the SMILES notation for 2-octylundec-2-enal;pent-2-enal?
The canonical SMILES for 2-octylundec-2-enal;pent-2-enal is CCC=CC=O.CCCCCCCCC=C(C=O)CCCCCCCC.
What is the InChIKey of 2-octylundec-2-enal;pent-2-enal?
The InChIKey is PUQXEXBHDLRZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O.C5H8O/c1-3-5-7-9-11-13-15-17-19(18-20)16-14-12-10-8-6-4-2;1-2-3-4-5-6/h17-18H,3-16H2,1-2H3;3-5H,2H2,1H3.
What are the key properties of 2-octylundec-2-enal;pent-2-enal?
2-octylundec-2-enal;pent-2-enal has a molecular weight of 364.61 g/mol, XLogP of 7.76, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylundec-2-enal;pent-2-enal is sourced from PubChem (CID 173412811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).