ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid

C12H14O6 — CID 161199390

IUPACethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid
SMILESC=C.O=C(OO)c1ccc(C(=O)OCCO)cc1
InChIInChI=1S/C10H10O6.C2H4/c11-5-6-15-9(12)7-1-3-8(4-2-7)10(13)16-14;1-2/h1-4,11,14H,5-6H2;1-2H2
InChIKeyUUTXLCMHZDKIBC-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.27
Rot. Bonds4

About ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid

ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid (PubChem CID 161199390) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid.

Molecular Properties

Compound Nameethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid
PubChem CID161199390
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Nameethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid
SMILESC=C.O=C(OO)c1ccc(C(=O)OCCO)cc1
InChIInChI=1S/C10H10O6.C2H4/c11-5-6-15-9(12)7-1-3-8(4-2-7)10(13)16-14;1-2/h1-4,11,14H,5-6H2;1-2H2
InChIKeyUUTXLCMHZDKIBC-UHFFFAOYSA-N
XLogP1.27
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate
CID 69170087
bis(4-hydroxybutyl) benzene-1,4-dicarboxylate
CID 11001391
1-O-(2-hydroxyethyl) 4-O-[2-[hydroxy-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethoxy]phosphoryl]oxyethyl] benzene-1,4-dicarboxylate
CID 138530108
2-hydroxyethyl 4-(2-phenylphenyl)benzoate
CID 139650323
2-hydroxyethyl 4-(6-hydroxyhexoxy)benzoate
CID 126733121
ethene;4-methoxycarbonylbenzenecarboperoxoic acid
CID 87669855
2-benzoyloxyethyl benzoate;ethene
CID 67969171
ethanol;2-hydroxyethyl 4-(oxomethyl)benzoate;uranium(2+)
CID 164874748
4-O-(2-butoxyethyl) 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
CID 175437580
2-hydroxyethyl 4-fluoro-3-methylbenzoate
CID 116862866
2-hydroxyethyl 4-butan-2-ylbenzoate
CID 116862879
bis(2-hydroxyethyl) benzene-1,4-dicarboxylate;3-methylbenzene-1,2-diol
CID 66700398

Frequently Asked Questions

What is the IUPAC name of ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid?
The IUPAC name of ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid (CID 161199390) is ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid.
What is the SMILES notation for ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid?
The canonical SMILES for ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid is C=C.O=C(OO)c1ccc(C(=O)OCCO)cc1.
What is the InChIKey of ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid?
The InChIKey is UUTXLCMHZDKIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6.C2H4/c11-5-6-15-9(12)7-1-3-8(4-2-7)10(13)16-14;1-2/h1-4,11,14H,5-6H2;1-2H2.
What are the key properties of ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid?
ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid has a molecular weight of 254.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-(2-hydroxyethoxycarbonyl)benzenecarboperoxoic acid is sourced from PubChem (CID 161199390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).