but-2-en-2-yl 2-methylprop-2-enoate

C8H12O2 — CID 57052528

IUPACbut-2-en-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)=CC
InChIInChI=1S/C8H12O2/c1-5-7(4)10-8(9)6(2)3/h5H,2H2,1,3-4H3
InChIKeyFHXUCGOZKUVZAJ-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.03
Rot. Bonds2

About but-2-en-2-yl 2-methylprop-2-enoate

but-2-en-2-yl 2-methylprop-2-enoate (PubChem CID 57052528) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is but-2-en-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebut-2-en-2-yl 2-methylprop-2-enoate
PubChem CID57052528
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namebut-2-en-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)=CC
InChIInChI=1S/C8H12O2/c1-5-7(4)10-8(9)6(2)3/h5H,2H2,1,3-4H3
InChIKeyFHXUCGOZKUVZAJ-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
prop-1-en-2-yl 2-methylprop-2-enoate;silane
CID 173354947
oxaldehydoyl 2-methylprop-2-enoate
CID 87845932
1-[[2,4,4,6,6-pentakis[2-(2-methylprop-2-enoyloxy)prop-1-enoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]prop-1-en-2-yl 2-methylprop-2-enoate
CID 154501991
2-methylprop-2-enoyloxymethanethioic S-acid
CID 175561499
sodium;acetyl 2-methylprop-2-enoate;hydride
CID 174757857
prop-2-enoyl 2-methylprop-2-enoate;zinc
CID 146295420
[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate
CID 87083880
acetyloxycarbonyl 2-methylprop-2-enoate
CID 118497661
[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl] 2-methylprop-2-enoate
CID 166124468
[(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate
CID 139627237

Frequently Asked Questions

What is the IUPAC name of but-2-en-2-yl 2-methylprop-2-enoate?
The IUPAC name of but-2-en-2-yl 2-methylprop-2-enoate (CID 57052528) is but-2-en-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for but-2-en-2-yl 2-methylprop-2-enoate?
The canonical SMILES for but-2-en-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)=CC.
What is the InChIKey of but-2-en-2-yl 2-methylprop-2-enoate?
The InChIKey is FHXUCGOZKUVZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-7(4)10-8(9)6(2)3/h5H,2H2,1,3-4H3.
What are the key properties of but-2-en-2-yl 2-methylprop-2-enoate?
but-2-en-2-yl 2-methylprop-2-enoate has a molecular weight of 140.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 57052528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).