acetyloxycarbonyl 2-methylprop-2-enoate

C7H8O5 — CID 118497661

IUPACacetyloxycarbonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)OC(C)=O
InChIInChI=1S/C7H8O5/c1-4(2)6(9)12-7(10)11-5(3)8/h1H2,2-3H3
InChIKeyJEPWCXIBBXWXIK-UHFFFAOYSA-N
MW172.14 g/mol
LogP0.79
Rot. Bonds1

About acetyloxycarbonyl 2-methylprop-2-enoate

acetyloxycarbonyl 2-methylprop-2-enoate (PubChem CID 118497661) has the molecular formula C7H8O5 and a molecular weight of 172.14 g/mol. Its IUPAC name is acetyloxycarbonyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameacetyloxycarbonyl 2-methylprop-2-enoate
PubChem CID118497661
Molecular FormulaC7H8O5
Molecular Weight172.14 g/mol
Exact Mass172.04
IUPAC Nameacetyloxycarbonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)OC(C)=O
InChIInChI=1S/C7H8O5/c1-4(2)6(9)12-7(10)11-5(3)8/h1H2,2-3H3
InChIKeyJEPWCXIBBXWXIK-UHFFFAOYSA-N
XLogP0.79
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

sodium;acetyl 2-methylprop-2-enoate;hydride
CID 174757857
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
prop-1-en-2-yl 2-methylprop-2-enoate;silane
CID 173354947
bis(2-methylprop-2-enoic acid);2-methylprop-2-enoylperoxycarbonyl 2-methylprop-2-enoate
CID 87087130
2-methylprop-2-enoyloxymethanethioic S-acid
CID 175561499
[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate
CID 87083880
but-2-en-2-yl 2-methylprop-2-enoate
CID 57052528
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
3-[3-(2-methylprop-2-enoyloxycarbonyloxy)propoxy]propoxycarbonyl 2-methylprop-2-enoate
CID 150597368
oxaldehydoyl 2-methylprop-2-enoate
CID 87845932
cyclohexyloxycarbonyl 2-methylprop-2-enoate
CID 156840126
prop-1-en-2-yl acetate;hydrate
CID 175309612

Frequently Asked Questions

What is the IUPAC name of acetyloxycarbonyl 2-methylprop-2-enoate?
The IUPAC name of acetyloxycarbonyl 2-methylprop-2-enoate (CID 118497661) is acetyloxycarbonyl 2-methylprop-2-enoate.
What is the SMILES notation for acetyloxycarbonyl 2-methylprop-2-enoate?
The canonical SMILES for acetyloxycarbonyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(=O)OC(C)=O.
What is the InChIKey of acetyloxycarbonyl 2-methylprop-2-enoate?
The InChIKey is JEPWCXIBBXWXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5/c1-4(2)6(9)12-7(10)11-5(3)8/h1H2,2-3H3.
What are the key properties of acetyloxycarbonyl 2-methylprop-2-enoate?
acetyloxycarbonyl 2-methylprop-2-enoate has a molecular weight of 172.14 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxycarbonyl 2-methylprop-2-enoate is sourced from PubChem (CID 118497661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).