butanedioic acid;ethaneperoxoic acid

C6H10O7 — CID 160919533

IUPACbutanedioic acid;ethaneperoxoic acid
SMILESCC(=O)OO.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.C2H4O3/c5-3(6)1-2-4(7)8;1-2(3)5-4/h1-2H2,(H,5,6)(H,7,8);4H,1H3
InChIKeySRVPRTDFPWMOCL-UHFFFAOYSA-N
MW194.14 g/mol
LogP-0.04
Rot. Bonds3

About butanedioic acid;ethaneperoxoic acid

butanedioic acid;ethaneperoxoic acid (PubChem CID 160919533) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is butanedioic acid;ethaneperoxoic acid.

Molecular Properties

Compound Namebutanedioic acid;ethaneperoxoic acid
PubChem CID160919533
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Namebutanedioic acid;ethaneperoxoic acid
SMILESCC(=O)OO.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.C2H4O3/c5-3(6)1-2-4(7)8;1-2(3)5-4/h1-2H2,(H,5,6)(H,7,8);4H,1H3
InChIKeySRVPRTDFPWMOCL-UHFFFAOYSA-N
XLogP-0.04
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butanedioic acid;ethaneperoxoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 87069860
CID 87069860
aluminum ethaneperoxoic acid
CID 22172567
ethaneperoxoic acid;yttrium
CID 88646363
4-(acetyloxyamino)-4-oxobutanoic acid
CID 139972378
acetamide;butanedioic acid
CID 175267619
azane;butanedioic acid;ethanol
CID 87975822
butanedioic acid;ethanol;2-oxopropanoic acid
CID 159309447
ethaneperoxoic acid;methoxymethane
CID 87834215
sodium;ethaneperoxoic acid;bromide
CID 175568504
azane;butanedioic acid;methanol
CID 131741728
bis(butanedioic acid);carbonic acid
CID 159577506
trisodium;butanedioic acid
CID 175698490

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;ethaneperoxoic acid?
The IUPAC name of butanedioic acid;ethaneperoxoic acid (CID 160919533) is butanedioic acid;ethaneperoxoic acid.
What is the SMILES notation for butanedioic acid;ethaneperoxoic acid?
The canonical SMILES for butanedioic acid;ethaneperoxoic acid is CC(=O)OO.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;ethaneperoxoic acid?
The InChIKey is SRVPRTDFPWMOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.C2H4O3/c5-3(6)1-2-4(7)8;1-2(3)5-4/h1-2H2,(H,5,6)(H,7,8);4H,1H3.
What are the key properties of butanedioic acid;ethaneperoxoic acid?
butanedioic acid;ethaneperoxoic acid has a molecular weight of 194.14 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;ethaneperoxoic acid is sourced from PubChem (CID 160919533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).