2-methylprop-2-enoyl 2-methylidenehex-5-enoate

C11H14O3 — CID 54343288

IUPAC2-methylprop-2-enoyl 2-methylidenehex-5-enoate
SMILESC=CCCC(=C)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C11H14O3/c1-5-6-7-9(4)11(13)14-10(12)8(2)3/h5H,1-2,4,6-7H2,3H3
InChIKeyUAMQDJMYFRBNJF-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.15
Rot. Bonds5

About 2-methylprop-2-enoyl 2-methylidenehex-5-enoate

2-methylprop-2-enoyl 2-methylidenehex-5-enoate (PubChem CID 54343288) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2-methylidenehex-5-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2-methylidenehex-5-enoate
PubChem CID54343288
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-methylprop-2-enoyl 2-methylidenehex-5-enoate
SMILESC=CCCC(=C)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C11H14O3/c1-5-6-7-9(4)11(13)14-10(12)8(2)3/h5H,1-2,4,6-7H2,3H3
InChIKeyUAMQDJMYFRBNJF-UHFFFAOYSA-N
XLogP2.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 4-methyl-2-methylidenepentanoate
CID 22127992
Ethyl 2-propylacrylate
CID 11844669
Methyl 2-methylidenehexanoate
CID 330536
Methyl 2-allyl acrylate
CID 331669
Ethyl 2-methylene-4-pentenoate
CID 11829534
Ethyl 2-methylidenehex-5-enoate
CID 10855685
Ethyl 2-ethenylidenepent-4-enoate
CID 11954602
Methyl 2-methylidenepentanoate
CID 12684701
Methyl 2-methylenehex-5-enoate
CID 12706152
Ethyl 4-methyl-2-methylidenepent-4-enoate
CID 13706995
Butyl 2-methylidenepent-4-enoate
CID 20187280
Ethyl 2-ethenylidenepentanoate
CID 24746368

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 2-methylidenehex-5-enoate?
The IUPAC name of 2-methylprop-2-enoyl 2-methylidenehex-5-enoate (CID 54343288) is 2-methylprop-2-enoyl 2-methylidenehex-5-enoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2-methylidenehex-5-enoate?
The canonical SMILES for 2-methylprop-2-enoyl 2-methylidenehex-5-enoate is C=CCCC(=C)C(=O)OC(=O)C(=C)C.
What is the InChIKey of 2-methylprop-2-enoyl 2-methylidenehex-5-enoate?
The InChIKey is UAMQDJMYFRBNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-5-6-7-9(4)11(13)14-10(12)8(2)3/h5H,1-2,4,6-7H2,3H3.
What are the key properties of 2-methylprop-2-enoyl 2-methylidenehex-5-enoate?
2-methylprop-2-enoyl 2-methylidenehex-5-enoate has a molecular weight of 194.23 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2-methylidenehex-5-enoate is sourced from PubChem (CID 54343288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).