[(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate

C35H65NO2 — CID 118084777

IUPAC[(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate
SMILESCCCCCC/C=C\C/C=C\CCCCCCCNCCCCCCCC(=O)OC/C=C\CCCCCC
InChIInChI=1S/C35H65NO2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-24-28-32-36-33-29-25-22-23-27-31-35(37)38-34-30-26-21-10-8-6-4-2/h12-13,15-16,26,30,36H,3-11,14,17-25,27-29,31-34H2,1-2H3/b13-12-,16-15-,30-26-
InChIKeyVXLONNYLDVUHPZ-VZJUUCKGSA-N
MW531.91 g/mol
LogP10.80
Rot. Bonds30

About [(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate

[(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate (PubChem CID 118084777) has the molecular formula C35H65NO2 and a molecular weight of 531.91 g/mol. Its IUPAC name is [(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate.

Molecular Properties

Compound Name[(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate
PubChem CID118084777
Molecular FormulaC35H65NO2
Molecular Weight531.91 g/mol
Exact Mass531.50
IUPAC Name[(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate
SMILESCCCCCC/C=C\C/C=C\CCCCCCCNCCCCCCCC(=O)OC/C=C\CCCCCC
InChIInChI=1S/C35H65NO2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-24-28-32-36-33-29-25-22-23-27-31-35(37)38-34-30-26-21-10-8-6-4-2/h12-13,15-16,26,30,36H,3-11,14,17-25,27-29,31-34H2,1-2H3/b13-12-,16-15-,30-26-
InChIKeyVXLONNYLDVUHPZ-VZJUUCKGSA-N
XLogP10.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.91
LogP ≤ 510.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate with MolForge

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Launch Full Analysis

Related Compounds

oct-2-enyl hexadecanoate
CID 154498237
[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450
[(Z)-non-2-enyl] decanoate
CID 88564768
2-[[(Z)-octadec-9-enyl]amino]ethyl (Z)-octadec-9-enoate
CID 169290665
2-[2-[(Z)-dodec-9-enoyl]oxyethylamino]ethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 142587431
bis[(E)-pentadec-2-enyl] butanedioate
CID 87799324
7-[(Z)-non-2-enoxy]-7-oxoheptanoic acid
CID 155235780
[(Z)-non-2-enyl] octanoate;octanoic acid
CID 175155639
ethyl (11Z)-icosa-11,14-dienoate
CID 77134635
[(E)-hex-2-enyl] hexacosanoate
CID 102118773
[(E)-dec-2-enyl] butanoate
CID 91749795
bis(octadeca-9,12-dienyl) hexanedioate
CID 54408649

Frequently Asked Questions

What is the IUPAC name of [(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate?
The IUPAC name of [(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate (CID 118084777) is [(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate.
What is the SMILES notation for [(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate?
The canonical SMILES for [(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate is CCCCCC/C=C\C/C=C\CCCCCCCNCCCCCCCC(=O)OC/C=C\CCCCCC.
What is the InChIKey of [(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate?
The InChIKey is VXLONNYLDVUHPZ-VZJUUCKGSA-N. The full InChI is InChI=1S/C35H65NO2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-24-28-32-36-33-29-25-22-23-27-31-35(37)38-34-30-26-21-10-8-6-4-2/h12-13,15-16,26,30,36H,3-11,14,17-25,27-29,31-34H2,1-2H3/b13-12-,16-15-,30-26-.
What are the key properties of [(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate?
[(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate has a molecular weight of 531.91 g/mol, XLogP of 10.80, 30 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-non-2-enyl] 8-[[(8Z,11Z)-octadeca-8,11-dienyl]amino]octanoate is sourced from PubChem (CID 118084777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).