ethenyl acetate;methyl 2-methylprop-2-enoate

C9H14O4 — CID 22003389

IUPACethenyl acetate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=COC(C)=O
InChIInChI=1S/C5H8O2.C4H6O2/c1-4(2)5(6)7-3;1-3-6-4(2)5/h1H2,2-3H3;3H,1H2,2H3
InChIKeyMSWXGRFAOYXBBF-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.43
Rot. Bonds2

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

ethenyl acetate;methyl 2-methylprop-2-enoate (PubChem CID 22003389) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethenyl acetate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethenyl acetate;methyl 2-methylprop-2-enoate
PubChem CID22003389
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Nameethenyl acetate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=COC(C)=O
InChIInChI=1S/C5H8O2.C4H6O2/c1-4(2)5(6)7-3;1-3-6-4(2)5/h1H2,2-3H3;3H,1H2,2H3
InChIKeyMSWXGRFAOYXBBF-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethenyl acetate
CID 7904
ethenyl acetate;methoxyethene
CID 18921270
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
ethene;ethenyl acetate;hydrofluoride
CID 158693082
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
2-chlorobuta-1,3-diene;methyl 2-methylprop-2-enoate
CID 86748634

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;methyl 2-methylprop-2-enoate?
The IUPAC name of ethenyl acetate;methyl 2-methylprop-2-enoate (CID 22003389) is ethenyl acetate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for ethenyl acetate;methyl 2-methylprop-2-enoate?
The canonical SMILES for ethenyl acetate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=COC(C)=O.
What is the InChIKey of ethenyl acetate;methyl 2-methylprop-2-enoate?
The InChIKey is MSWXGRFAOYXBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H6O2/c1-4(2)5(6)7-3;1-3-6-4(2)5/h1H2,2-3H3;3H,1H2,2H3.
What are the key properties of ethenyl acetate;methyl 2-methylprop-2-enoate?
ethenyl acetate;methyl 2-methylprop-2-enoate has a molecular weight of 186.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 22003389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).