dicarboxy 2-methylidenebutanediperoxoate

C7H6O10 — CID 88642273

IUPACdicarboxy 2-methylidenebutanediperoxoate
SMILESC=C(CC(=O)OOC(=O)O)C(=O)OOC(=O)O
InChIInChI=1S/C7H6O10/c1-3(5(9)15-17-7(12)13)2-4(8)14-16-6(10)11/h1-2H2,(H,10,11)(H,12,13)
InChIKeyBVSJSJOOFYJHJV-UHFFFAOYSA-N
MW250.11 g/mol
LogP0.24
Rot. Bonds3

About dicarboxy 2-methylidenebutanediperoxoate

dicarboxy 2-methylidenebutanediperoxoate (PubChem CID 88642273) has the molecular formula C7H6O10 and a molecular weight of 250.11 g/mol. Its IUPAC name is dicarboxy 2-methylidenebutanediperoxoate.

Molecular Properties

Compound Namedicarboxy 2-methylidenebutanediperoxoate
PubChem CID88642273
Molecular FormulaC7H6O10
Molecular Weight250.11 g/mol
Exact Mass250.00
IUPAC Namedicarboxy 2-methylidenebutanediperoxoate
SMILESC=C(CC(=O)OOC(=O)O)C(=O)OOC(=O)O
InChIInChI=1S/C7H6O10/c1-3(5(9)15-17-7(12)13)2-4(8)14-16-6(10)11/h1-2H2,(H,10,11)(H,12,13)
InChIKeyBVSJSJOOFYJHJV-UHFFFAOYSA-N
XLogP0.24
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.11
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

dicarboxy 2-methylidenebutanedioate
CID 88642276
bis[2-(2-methoxyethoxy)ethyl] 2-methylidenebutanediperoxoate
CID 54345755
3-(2-carboxyacetyl)peroxy-3-oxopropanoic acid
CID 175368500
carboxyoxy hydrogen carbonate;neodymium
CID 174688278
CID 87206652
CID 87206652
1-O-amino 4-O-methyl 2-methylidenebutanedioate
CID 163455319
dipotassium;dimethyl 2-methylidenebutanedioate;hydride
CID 174338040
3-methoxycarbonylbut-3-enoic acid
CID 4613903
dicalcium;carboxyoxy hydrogen carbonate;hydride
CID 173048149
4-O-(methoxymethyl) 1-O-methyl 2-methylidenebutanedioate
CID 23571779
4-O-ethyl 1-O-methyl 2-methylidenebutanedioate
CID 12527732
6-carboxyperoxy-6-oxohexanoic acid
CID 139916603

Frequently Asked Questions

What is the IUPAC name of dicarboxy 2-methylidenebutanediperoxoate?
The IUPAC name of dicarboxy 2-methylidenebutanediperoxoate (CID 88642273) is dicarboxy 2-methylidenebutanediperoxoate.
What is the SMILES notation for dicarboxy 2-methylidenebutanediperoxoate?
The canonical SMILES for dicarboxy 2-methylidenebutanediperoxoate is C=C(CC(=O)OOC(=O)O)C(=O)OOC(=O)O.
What is the InChIKey of dicarboxy 2-methylidenebutanediperoxoate?
The InChIKey is BVSJSJOOFYJHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O10/c1-3(5(9)15-17-7(12)13)2-4(8)14-16-6(10)11/h1-2H2,(H,10,11)(H,12,13).
What are the key properties of dicarboxy 2-methylidenebutanediperoxoate?
dicarboxy 2-methylidenebutanediperoxoate has a molecular weight of 250.11 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicarboxy 2-methylidenebutanediperoxoate is sourced from PubChem (CID 88642273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).