ethenyl octacosanoate

C30H58O2 — CID 54439588

IUPACethenyl octacosanoate
SMILESC=COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C30H58O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32-4-2/h4H,2-3,5-29H2,1H3
InChIKeyWNDIUQWZDRRWSG-UHFFFAOYSA-N
MW450.79 g/mol
LogP10.84
Rot. Bonds27

About ethenyl octacosanoate

ethenyl octacosanoate (PubChem CID 54439588) has the molecular formula C30H58O2 and a molecular weight of 450.79 g/mol. Its IUPAC name is ethenyl octacosanoate.

Molecular Properties

Compound Nameethenyl octacosanoate
PubChem CID54439588
Molecular FormulaC30H58O2
Molecular Weight450.79 g/mol
Exact Mass450.44
IUPAC Nameethenyl octacosanoate
SMILESC=COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C30H58O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32-4-2/h4H,2-3,5-29H2,1H3
InChIKeyWNDIUQWZDRRWSG-UHFFFAOYSA-N
XLogP10.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.79
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethenyl heptatriacontanoate
CID 139682782
ethenyl henpentacontanoate
CID 139683011
ethenyl tetracontanoate
CID 139682936
ethenyl butanoate;ethenyl octadecanoate
CID 161122383
acetic acid;ethenyl octadecanoate
CID 87067593
ethenyl (9Z,12Z)-octadeca-9,12-dienoate
CID 87157382
bis(ethenyl) hexanedioate
CID 19997
ethenyl pentanoate;methoxyethene
CID 174843256
formyl docosanoate
CID 87130713
formyl heptanoate
CID 57242473
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
1,2-bis(ethenyl)benzene;ethenyl octadecanoate
CID 70147414

Frequently Asked Questions

What is the IUPAC name of ethenyl octacosanoate?
The IUPAC name of ethenyl octacosanoate (CID 54439588) is ethenyl octacosanoate.
What is the SMILES notation for ethenyl octacosanoate?
The canonical SMILES for ethenyl octacosanoate is C=COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of ethenyl octacosanoate?
The InChIKey is WNDIUQWZDRRWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32-4-2/h4H,2-3,5-29H2,1H3.
What are the key properties of ethenyl octacosanoate?
ethenyl octacosanoate has a molecular weight of 450.79 g/mol, XLogP of 10.84, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl octacosanoate is sourced from PubChem (CID 54439588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).