tetracos-11-enal

C24H46O — CID 173212441

IUPACtetracos-11-enal
SMILESCCCCCCCCCCCCC=CCCCCCCCCCC=O
InChIInChI=1S/C24H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h13-14,24H,2-12,15-23H2,1H3
InChIKeyRKUQXVSJQHPPCB-UHFFFAOYSA-N
MW350.63 g/mol
LogP8.56
Rot. Bonds21

About tetracos-11-enal

tetracos-11-enal (PubChem CID 173212441) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is tetracos-11-enal.

Molecular Properties

Compound Nametetracos-11-enal
PubChem CID173212441
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Nametetracos-11-enal
SMILESCCCCCCCCCCCCC=CCCCCCCCCCC=O
InChIInChI=1S/C24H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h13-14,24H,2-12,15-23H2,1H3
InChIKeyRKUQXVSJQHPPCB-UHFFFAOYSA-N
XLogP8.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(E)-tetradec-7-enal
CID 5283367
(E)-hexacos-17-enal
CID 20847611
(Z)-tetradec-8-enal
CID 6430188
(E)-heptadec-6-enal
CID 122214705
(E)-octacos-19-enal
CID 25245229
(E)-octadec-8-enal
CID 5365013
(Z)-pentadec-6-enal
CID 10489351
(6E,12E)-octadeca-6,12-dienal
CID 10220937
(E)-octadec-13-enal
CID 5367670
(15Z,18Z)-tetracosa-15,18-dienal
CID 139535965
hexadeca-7,11-dienal
CID 543335
decanal;decane
CID 157361056

Frequently Asked Questions

What is the IUPAC name of tetracos-11-enal?
The IUPAC name of tetracos-11-enal (CID 173212441) is tetracos-11-enal.
What is the SMILES notation for tetracos-11-enal?
The canonical SMILES for tetracos-11-enal is CCCCCCCCCCCCC=CCCCCCCCCCC=O.
What is the InChIKey of tetracos-11-enal?
The InChIKey is RKUQXVSJQHPPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h13-14,24H,2-12,15-23H2,1H3.
What are the key properties of tetracos-11-enal?
tetracos-11-enal has a molecular weight of 350.63 g/mol, XLogP of 8.56, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracos-11-enal is sourced from PubChem (CID 173212441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).