ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide

C18H31NO5 — CID 6453924

IUPACethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide
SMILESC=CC(=O)OCC(CC)CCCC.C=CC(N)=O.C=COC(C)=O
InChIInChI=1S/C11H20O2.C4H6O2.C3H5NO/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-6-4(2)5;1-2-3(4)5/h6,10H,3-5,7-9H2,1-2H3;3H,1H2,2H3;2H,1H2,(H2,4,5)
InChIKeyAHLZICFMKIUANV-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.28
Rot. Bonds9

About ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide

ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide (PubChem CID 6453924) has the molecular formula C18H31NO5 and a molecular weight of 341.45 g/mol. Its IUPAC name is ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide.

Molecular Properties

Compound Nameethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide
PubChem CID6453924
Molecular FormulaC18H31NO5
Molecular Weight341.45 g/mol
Exact Mass341.22
IUPAC Nameethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide
SMILESC=CC(=O)OCC(CC)CCCC.C=CC(N)=O.C=COC(C)=O
InChIInChI=1S/C11H20O2.C4H6O2.C3H5NO/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-6-4(2)5;1-2-3(4)5/h6,10H,3-5,7-9H2,1-2H3;3H,1H2,2H3;2H,1H2,(H2,4,5)
InChIKeyAHLZICFMKIUANV-UHFFFAOYSA-N
XLogP3.28
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(2-ethylhexyl) but-2-enedioate;ethenyl acetate
CID 158164701
ethenyl acetate;2-ethylhexyl prop-2-enoate;methyl prop-2-enoate;prop-2-enoic acid
CID 170852324
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
2-ethylhexyl prop-2-enoate;heptyl prop-2-enoate
CID 19881997
2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate
CID 87522127
2-ethylhexyl 4-amino-4-oxobut-2-enoate
CID 54105365
2-butyldodecyl prop-2-enoate
CID 141303705
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
2-ethylhexyl prop-2-enoate;hexyl 2-methylprop-2-enoate
CID 88669933
2-octyldecyl prop-2-enoate
CID 71353023
butyl prop-2-enoate;ethenyl acetate
CID 23373234
ethenyl acetate;octyl prop-2-enoate
CID 22497770

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide?
The IUPAC name of ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide (CID 6453924) is ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide.
What is the SMILES notation for ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide?
The canonical SMILES for ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide is C=CC(=O)OCC(CC)CCCC.C=CC(N)=O.C=COC(C)=O.
What is the InChIKey of ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide?
The InChIKey is AHLZICFMKIUANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C4H6O2.C3H5NO/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-6-4(2)5;1-2-3(4)5/h6,10H,3-5,7-9H2,1-2H3;3H,1H2,2H3;2H,1H2,(H2,4,5).
What are the key properties of ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide?
ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide has a molecular weight of 341.45 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide is sourced from PubChem (CID 6453924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).