ethenyl acetate;octadecane

C22H44O2 — CID 161470611

IUPACethenyl acetate;octadecane
SMILESC=COC(C)=O.CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H38.C4H6O2/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-6-4(2)5/h3-18H2,1-2H3;3H,1H2,2H3
InChIKeyWDAJXPZZOQAFPA-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.96
Rot. Bonds16

About ethenyl acetate;octadecane

ethenyl acetate;octadecane (PubChem CID 161470611) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is ethenyl acetate;octadecane.

Molecular Properties

Compound Nameethenyl acetate;octadecane
PubChem CID161470611
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Nameethenyl acetate;octadecane
SMILESC=COC(C)=O.CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H38.C4H6O2/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-6-4(2)5/h3-18H2,1-2H3;3H,1H2,2H3
InChIKeyWDAJXPZZOQAFPA-UHFFFAOYSA-N
XLogP7.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.96
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 acetate;heptane
CID 19104449
ethenyl acetate;octyl prop-2-enoate
CID 22497770
ethanol;ethenyl acetate
CID 87099759
ethenyl acetate;hexadecyl 2-methylprop-2-enoate
CID 174850858
ethenyl acetate;tetradecyl 2-methylprop-2-enoate
CID 175063005
ethenyl acetate;octadecyl 2-methylprop-2-enoate
CID 159374874
ethenyl acetate
CID 7904
4-decoxy-4-oxobut-2-enoic acid;ethenyl acetate
CID 162224725
butyl prop-2-enoate;ethenyl acetate
CID 23373234
ethenyl henpentacontanoate
CID 139683011
ethenyl octacosanoate
CID 54439588
ethenyl tetracontanoate
CID 139682936

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;octadecane?
The IUPAC name of ethenyl acetate;octadecane (CID 161470611) is ethenyl acetate;octadecane.
What is the SMILES notation for ethenyl acetate;octadecane?
The canonical SMILES for ethenyl acetate;octadecane is C=COC(C)=O.CCCCCCCCCCCCCCCCCC.
What is the InChIKey of ethenyl acetate;octadecane?
The InChIKey is WDAJXPZZOQAFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.C4H6O2/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-6-4(2)5/h3-18H2,1-2H3;3H,1H2,2H3.
What are the key properties of ethenyl acetate;octadecane?
ethenyl acetate;octadecane has a molecular weight of 340.59 g/mol, XLogP of 7.96, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;octadecane is sourced from PubChem (CID 161470611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).