oct-2-enyl hexadecanoate

C24H46O2 — CID 154498237

IUPACoct-2-enyl hexadecanoate
SMILESCCCCCC=CCOC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C24H46O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24(25)26-23-21-19-10-8-6-4-2/h19,21H,3-18,20,22-23H2,1-2H3
InChIKeyCHQRENMWLXJMGK-UHFFFAOYSA-N
MW366.63 g/mol
LogP8.15
Rot. Bonds20

About oct-2-enyl hexadecanoate

oct-2-enyl hexadecanoate (PubChem CID 154498237) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is oct-2-enyl hexadecanoate.

Molecular Properties

Compound Nameoct-2-enyl hexadecanoate
PubChem CID154498237
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Nameoct-2-enyl hexadecanoate
SMILESCCCCCC=CCOC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C24H46O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24(25)26-23-21-19-10-8-6-4-2/h19,21H,3-18,20,22-23H2,1-2H3
InChIKeyCHQRENMWLXJMGK-UHFFFAOYSA-N
XLogP8.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450
[(Z)-non-2-enyl] decanoate
CID 88564768
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
[(E)-hex-2-enyl] hexacosanoate
CID 102118773
[(E)-dec-2-enyl] butanoate
CID 91749795
[(E)-non-2-enyl] 4-bromobutanoate
CID 156692547
[(Z)-non-2-enyl] 5-methoxypentanoate
CID 153434938
bis(undec-2-enyl) 7-hydroxytridecanedioate
CID 123671747
1-O-[(E)-dec-4-enyl] 4-O-[(E)-dodec-2-enyl] butanedioate
CID 91715869
4-octadec-2-enoxy-4-oxobutanoic acid
CID 54223186

Frequently Asked Questions

What is the IUPAC name of oct-2-enyl hexadecanoate?
The IUPAC name of oct-2-enyl hexadecanoate (CID 154498237) is oct-2-enyl hexadecanoate.
What is the SMILES notation for oct-2-enyl hexadecanoate?
The canonical SMILES for oct-2-enyl hexadecanoate is CCCCCC=CCOC(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of oct-2-enyl hexadecanoate?
The InChIKey is CHQRENMWLXJMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24(25)26-23-21-19-10-8-6-4-2/h19,21H,3-18,20,22-23H2,1-2H3.
What are the key properties of oct-2-enyl hexadecanoate?
oct-2-enyl hexadecanoate has a molecular weight of 366.63 g/mol, XLogP of 8.15, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-2-enyl hexadecanoate is sourced from PubChem (CID 154498237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).