ethene;ethenyl 2,2-dimethylpropanoate

C9H16O2 — CID 159810443

IUPACethene;ethenyl 2,2-dimethylpropanoate
SMILESC=C.C=COC(=O)C(C)(C)C
InChIInChI=1S/C7H12O2.C2H4/c1-5-9-6(8)7(2,3)4;1-2/h5H,1H2,2-4H3;1-2H2
InChIKeyNKYLJKBJQADARA-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.52
Rot. Bonds1

About ethene;ethenyl 2,2-dimethylpropanoate

ethene;ethenyl 2,2-dimethylpropanoate (PubChem CID 159810443) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is ethene;ethenyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethene;ethenyl 2,2-dimethylpropanoate
PubChem CID159810443
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Nameethene;ethenyl 2,2-dimethylpropanoate
SMILESC=C.C=COC(=O)C(C)(C)C
InChIInChI=1S/C7H12O2.C2H4/c1-5-9-6(8)7(2,3)4;1-2/h5H,1H2,2-4H3;1-2H2
InChIKeyNKYLJKBJQADARA-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;ethenyl 2,2-dimethylpropanoate
CID 162337931
ethenyl 2,2-dimethylpent-4-enoate
CID 22590352
ethenyl 2,2,4,4-tetramethylpentanoate
CID 19774400
ethenyl 2-(hydroxymethyl)-2-methylbutanoate
CID 58709244
lithium;formyl 2,2-dimethylpropanoate;hydride
CID 174785944
strontium;formyl 2,2-dimethylpropanoate;hydride
CID 174490906
bis(ethenyl) carbonate;ethene
CID 87073622
ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethenyl acetate
CID 7904
2-prop-2-enoxyethyl 2,2-dimethylpropanoate
CID 89277080
ethenyl 2-methyl-2-propylheptanoate
CID 146579738
lithium 1-(2,2-dimethylpropanoyloxy)-3,3-dimethylbut-1-en-2-olate
CID 23691100

Frequently Asked Questions

What is the IUPAC name of ethene;ethenyl 2,2-dimethylpropanoate?
The IUPAC name of ethene;ethenyl 2,2-dimethylpropanoate (CID 159810443) is ethene;ethenyl 2,2-dimethylpropanoate.
What is the SMILES notation for ethene;ethenyl 2,2-dimethylpropanoate?
The canonical SMILES for ethene;ethenyl 2,2-dimethylpropanoate is C=C.C=COC(=O)C(C)(C)C.
What is the InChIKey of ethene;ethenyl 2,2-dimethylpropanoate?
The InChIKey is NKYLJKBJQADARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C2H4/c1-5-9-6(8)7(2,3)4;1-2/h5H,1H2,2-4H3;1-2H2.
What are the key properties of ethene;ethenyl 2,2-dimethylpropanoate?
ethene;ethenyl 2,2-dimethylpropanoate has a molecular weight of 156.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethenyl 2,2-dimethylpropanoate is sourced from PubChem (CID 159810443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).