2-methylprop-2-enoyl 2-methylprop-2-enoate

C8H10O3 — CID 12974

IUPAC2-methylprop-2-enoyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C8H10O3/c1-5(2)7(9)11-8(10)6(3)4/h1,3H2,2,4H3
InChIKeyDCUFMVPCXCSVNP-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.21
Rot. Bonds2

About 2-methylprop-2-enoyl 2-methylprop-2-enoate

2-methylprop-2-enoyl 2-methylprop-2-enoate (PubChem CID 12974) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2-methylprop-2-enoate
PubChem CID12974
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-methylprop-2-enoyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C8H10O3/c1-5(2)7(9)11-8(10)6(3)4/h1,3H2,2,4H3
InChIKeyDCUFMVPCXCSVNP-UHFFFAOYSA-N
XLogP1.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 7355
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Ethyl Methacrylate
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Allyl methacrylate
CID 7274
n-Propyl methacrylate
CID 16638
Isopropyl methacrylate
CID 20769
2-Ethoxyethyl methacrylate
CID 71404
tert-Butyl methacrylate
CID 11448
sec-Butyl methacrylate
CID 97732
2-Methylallyl isobutyrate
CID 69953

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoyl 2-methylprop-2-enoate (CID 12974) is 2-methylprop-2-enoyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(=O)C(=C)C.
What is the InChIKey of 2-methylprop-2-enoyl 2-methylprop-2-enoate?
The InChIKey is DCUFMVPCXCSVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5(2)7(9)11-8(10)6(3)4/h1,3H2,2,4H3.
What are the key properties of 2-methylprop-2-enoyl 2-methylprop-2-enoate?
2-methylprop-2-enoyl 2-methylprop-2-enoate has a molecular weight of 154.16 g/mol, XLogP of 1.21, 2 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-methylprop-2-enoate is sourced from PubChem (CID 12974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).