ethenyl acetate;tetradecyl 2-methylprop-2-enoate

C22H40O4 — CID 175063005

IUPACethenyl acetate;tetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCC.C=COC(C)=O
InChIInChI=1S/C18H34O2.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3;1-3-6-4(2)5/h2,4-16H2,1,3H3;3H,1H2,2H3
InChIKeyZQMZNFVBGDLEOZ-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.50
Rot. Bonds15

About ethenyl acetate;tetradecyl 2-methylprop-2-enoate

ethenyl acetate;tetradecyl 2-methylprop-2-enoate (PubChem CID 175063005) has the molecular formula C22H40O4 and a molecular weight of 368.56 g/mol. Its IUPAC name is ethenyl acetate;tetradecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethenyl acetate;tetradecyl 2-methylprop-2-enoate
PubChem CID175063005
Molecular FormulaC22H40O4
Molecular Weight368.56 g/mol
Exact Mass368.29
IUPAC Nameethenyl acetate;tetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCC.C=COC(C)=O
InChIInChI=1S/C18H34O2.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3;1-3-6-4(2)5/h2,4-16H2,1,3H3;3H,1H2,2H3
InChIKeyZQMZNFVBGDLEOZ-UHFFFAOYSA-N
XLogP6.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.50
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethenyl acetate;hexadecyl 2-methylprop-2-enoate
CID 174850858
ethenyl acetate;octadecyl 2-methylprop-2-enoate
CID 159374874
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
butan-1-ol;heptyl 2-methylprop-2-enoate
CID 118690093
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
ethenyl acetate;heptane
CID 19104449

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;tetradecyl 2-methylprop-2-enoate?
The IUPAC name of ethenyl acetate;tetradecyl 2-methylprop-2-enoate (CID 175063005) is ethenyl acetate;tetradecyl 2-methylprop-2-enoate.
What is the SMILES notation for ethenyl acetate;tetradecyl 2-methylprop-2-enoate?
The canonical SMILES for ethenyl acetate;tetradecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCCCC.C=COC(C)=O.
What is the InChIKey of ethenyl acetate;tetradecyl 2-methylprop-2-enoate?
The InChIKey is ZQMZNFVBGDLEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3;1-3-6-4(2)5/h2,4-16H2,1,3H3;3H,1H2,2H3.
What are the key properties of ethenyl acetate;tetradecyl 2-methylprop-2-enoate?
ethenyl acetate;tetradecyl 2-methylprop-2-enoate has a molecular weight of 368.56 g/mol, XLogP of 6.50, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;tetradecyl 2-methylprop-2-enoate is sourced from PubChem (CID 175063005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).