nonanal;oct-1-ene

C17H34O — CID 157284500

IUPACnonanal;oct-1-ene
SMILESC=CCCCCCC.CCCCCCCCC=O
InChIInChI=1S/C9H18O.C8H16/c1-2-3-4-5-6-7-8-9-10;1-3-5-7-8-6-4-2/h9H,2-8H2,1H3;3H,1,4-8H2,2H3
InChIKeyBABGUWAXHIVHOS-UHFFFAOYSA-N
MW254.46 g/mol
LogP6.08
Rot. Bonds12

About nonanal;oct-1-ene

nonanal;oct-1-ene (PubChem CID 157284500) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is nonanal;oct-1-ene.

Molecular Properties

Compound Namenonanal;oct-1-ene
PubChem CID157284500
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Namenonanal;oct-1-ene
SMILESC=CCCCCCC.CCCCCCCCC=O
InChIInChI=1S/C9H18O.C8H16/c1-2-3-4-5-6-7-8-9-10;1-3-5-7-8-6-4-2/h9H,2-8H2,1H3;3H,1,4-8H2,2H3
InChIKeyBABGUWAXHIVHOS-UHFFFAOYSA-N
XLogP6.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 56.08
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

heptanal;hept-1-ene
CID 174946758
octadec-1-ene;tetradec-1-ene
CID 158470925
decanal;decane
CID 157361056
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
henicos-20-enal
CID 14559831
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
tridec-12-enal
CID 57284057
heptanal;undec-10-enoic acid
CID 118865645
ruthenium;tridecanal
CID 175429355

Frequently Asked Questions

What is the IUPAC name of nonanal;oct-1-ene?
The IUPAC name of nonanal;oct-1-ene (CID 157284500) is nonanal;oct-1-ene.
What is the SMILES notation for nonanal;oct-1-ene?
The canonical SMILES for nonanal;oct-1-ene is C=CCCCCCC.CCCCCCCCC=O.
What is the InChIKey of nonanal;oct-1-ene?
The InChIKey is BABGUWAXHIVHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C8H16/c1-2-3-4-5-6-7-8-9-10;1-3-5-7-8-6-4-2/h9H,2-8H2,1H3;3H,1,4-8H2,2H3.
What are the key properties of nonanal;oct-1-ene?
nonanal;oct-1-ene has a molecular weight of 254.46 g/mol, XLogP of 6.08, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonanal;oct-1-ene is sourced from PubChem (CID 157284500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).