ethenyl butanoate;ethenyl octadecanoate

C26H48O4 — CID 161122383

IUPACethenyl butanoate;ethenyl octadecanoate
SMILESC=COC(=O)CCC.C=COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H38O2.C6H10O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;1-3-5-6(7)8-4-2/h4H,2-3,5-19H2,1H3;4H,2-3,5H2,1H3
InChIKeyULCSJUMBPCFILH-UHFFFAOYSA-N
MW424.67 g/mol
LogP8.41
Rot. Bonds20

About ethenyl butanoate;ethenyl octadecanoate

ethenyl butanoate;ethenyl octadecanoate (PubChem CID 161122383) has the molecular formula C26H48O4 and a molecular weight of 424.67 g/mol. Its IUPAC name is ethenyl butanoate;ethenyl octadecanoate.

Molecular Properties

Compound Nameethenyl butanoate;ethenyl octadecanoate
PubChem CID161122383
Molecular FormulaC26H48O4
Molecular Weight424.67 g/mol
Exact Mass424.36
IUPAC Nameethenyl butanoate;ethenyl octadecanoate
SMILESC=COC(=O)CCC.C=COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H38O2.C6H10O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;1-3-5-6(7)8-4-2/h4H,2-3,5-19H2,1H3;4H,2-3,5H2,1H3
InChIKeyULCSJUMBPCFILH-UHFFFAOYSA-N
XLogP8.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 octacosanoate
CID 54439588
ethenyl heptatriacontanoate
CID 139682782
ethenyl henpentacontanoate
CID 139683011
ethenyl tetracontanoate
CID 139682936
acetic acid;ethenyl octadecanoate
CID 87067593
1,2-bis(ethenyl)benzene;ethenyl octadecanoate
CID 70147414
ethanol;ethenyl butanoate
CID 87410894
ethenyl (9Z,12Z)-octadeca-9,12-dienoate
CID 87157382
bis(ethenyl) hexanedioate
CID 19997
ethenyl pentanoate;methoxyethene
CID 174843256
butane-1,4-diol;ethenyl butanoate
CID 159135877
formyl docosanoate
CID 87130713

Frequently Asked Questions

What is the IUPAC name of ethenyl butanoate;ethenyl octadecanoate?
The IUPAC name of ethenyl butanoate;ethenyl octadecanoate (CID 161122383) is ethenyl butanoate;ethenyl octadecanoate.
What is the SMILES notation for ethenyl butanoate;ethenyl octadecanoate?
The canonical SMILES for ethenyl butanoate;ethenyl octadecanoate is C=COC(=O)CCC.C=COC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of ethenyl butanoate;ethenyl octadecanoate?
The InChIKey is ULCSJUMBPCFILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2.C6H10O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2;1-3-5-6(7)8-4-2/h4H,2-3,5-19H2,1H3;4H,2-3,5H2,1H3.
What are the key properties of ethenyl butanoate;ethenyl octadecanoate?
ethenyl butanoate;ethenyl octadecanoate has a molecular weight of 424.67 g/mol, XLogP of 8.41, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl butanoate;ethenyl octadecanoate is sourced from PubChem (CID 161122383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).