ethenyl 2,2-dimethylpent-4-enoate

C9H14O2 — CID 22590352

IUPACethenyl 2,2-dimethylpent-4-enoate
SMILESC=CCC(C)(C)C(=O)OC=C
InChIInChI=1S/C9H14O2/c1-5-7-9(3,4)8(10)11-6-2/h5-6H,1-2,7H2,3-4H3
InChIKeyOSFFKGOTSCLZOX-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.28
Rot. Bonds4

About ethenyl 2,2-dimethylpent-4-enoate

ethenyl 2,2-dimethylpent-4-enoate (PubChem CID 22590352) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethenyl 2,2-dimethylpent-4-enoate.

Molecular Properties

Compound Nameethenyl 2,2-dimethylpent-4-enoate
PubChem CID22590352
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethenyl 2,2-dimethylpent-4-enoate
SMILESC=CCC(C)(C)C(=O)OC=C
InChIInChI=1S/C9H14O2/c1-5-7-9(3,4)8(10)11-6-2/h5-6H,1-2,7H2,3-4H3
InChIKeyOSFFKGOTSCLZOX-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.28
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

ethenyl 2,2,4,4-tetramethylpentanoate
CID 19774400
ethene;ethenyl 2,2-dimethylpropanoate
CID 159810443
2,2-dimethylpent-4-enamide;methoxyethene
CID 174849158
acetic acid;ethenyl 2,2-dimethylpropanoate
CID 162337931
ethenyl 2-(hydroxymethyl)-2-methylbutanoate
CID 58709244
prop-2-enyl 2,2-dimethyl-4-oxobutanoate
CID 163211524
methyl (2S)-2-amino-2-methylpent-4-enoate
CID 10261200
methyl 2-(hydroxymethyl)-2-methylpent-4-enoate
CID 18728417
(2Z)-3,4,4-trimethylhepta-2,6-dienoic acid
CID 90303605
methyl 2-ethyl-2-methylpent-4-enoate
CID 14714437
methyl (2S)-2-(aziridin-1-yl)-2-methylpent-4-enoate
CID 163655825
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394

Frequently Asked Questions

What is the IUPAC name of ethenyl 2,2-dimethylpent-4-enoate?
The IUPAC name of ethenyl 2,2-dimethylpent-4-enoate (CID 22590352) is ethenyl 2,2-dimethylpent-4-enoate.
What is the SMILES notation for ethenyl 2,2-dimethylpent-4-enoate?
The canonical SMILES for ethenyl 2,2-dimethylpent-4-enoate is C=CCC(C)(C)C(=O)OC=C.
What is the InChIKey of ethenyl 2,2-dimethylpent-4-enoate?
The InChIKey is OSFFKGOTSCLZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-7-9(3,4)8(10)11-6-2/h5-6H,1-2,7H2,3-4H3.
What are the key properties of ethenyl 2,2-dimethylpent-4-enoate?
ethenyl 2,2-dimethylpent-4-enoate has a molecular weight of 154.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2,2-dimethylpent-4-enoate is sourced from PubChem (CID 22590352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).