ethenyl 2-methyl-2-prop-2-enoyloxypentanoate

C11H16O4 — CID 141240720

IUPACethenyl 2-methyl-2-prop-2-enoyloxypentanoate
SMILESC=COC(=O)C(C)(CCC)OC(=O)C=C
InChIInChI=1S/C11H16O4/c1-5-8-11(4,10(13)14-7-3)15-9(12)6-2/h6-7H,2-3,5,8H2,1,4H3
InChIKeyNUQFUJWMXZJBCD-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.96
Rot. Bonds6

About ethenyl 2-methyl-2-prop-2-enoyloxypentanoate

ethenyl 2-methyl-2-prop-2-enoyloxypentanoate (PubChem CID 141240720) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethenyl 2-methyl-2-prop-2-enoyloxypentanoate.

Molecular Properties

Compound Nameethenyl 2-methyl-2-prop-2-enoyloxypentanoate
PubChem CID141240720
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethenyl 2-methyl-2-prop-2-enoyloxypentanoate
SMILESC=COC(=O)C(C)(CCC)OC(=O)C=C
InChIInChI=1S/C11H16O4/c1-5-8-11(4,10(13)14-7-3)15-9(12)6-2/h6-7H,2-3,5,8H2,1,4H3
InChIKeyNUQFUJWMXZJBCD-UHFFFAOYSA-N
XLogP1.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-methyl-2-prop-2-enoyloxypentanoate?
The IUPAC name of ethenyl 2-methyl-2-prop-2-enoyloxypentanoate (CID 141240720) is ethenyl 2-methyl-2-prop-2-enoyloxypentanoate.
What is the SMILES notation for ethenyl 2-methyl-2-prop-2-enoyloxypentanoate?
The canonical SMILES for ethenyl 2-methyl-2-prop-2-enoyloxypentanoate is C=COC(=O)C(C)(CCC)OC(=O)C=C.
What is the InChIKey of ethenyl 2-methyl-2-prop-2-enoyloxypentanoate?
The InChIKey is NUQFUJWMXZJBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-8-11(4,10(13)14-7-3)15-9(12)6-2/h6-7H,2-3,5,8H2,1,4H3.
What are the key properties of ethenyl 2-methyl-2-prop-2-enoyloxypentanoate?
ethenyl 2-methyl-2-prop-2-enoyloxypentanoate has a molecular weight of 212.24 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-methyl-2-prop-2-enoyloxypentanoate is sourced from PubChem (CID 141240720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).