acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol

C10H20O9 — CID 88742997

IUPACacetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol
SMILESCC(=O)O.CC(=O)OOC(C)=O.OCCOCCO
InChIInChI=1S/C4H6O4.C4H10O3.C2H4O2/c1-3(5)7-8-4(2)6;5-1-3-7-4-2-6;1-2(3)4/h1-2H3;5-6H,1-4H2;1H3,(H,3,4)
InChIKeySHSZYTXTORVQSK-UHFFFAOYSA-N
MW284.26 g/mol
LogP-0.89
Rot. Bonds4

About acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol

acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol (PubChem CID 88742997) has the molecular formula C10H20O9 and a molecular weight of 284.26 g/mol. Its IUPAC name is acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Nameacetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol
PubChem CID88742997
Molecular FormulaC10H20O9
Molecular Weight284.26 g/mol
Exact Mass284.11
IUPAC Nameacetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol
SMILESCC(=O)O.CC(=O)OOC(C)=O.OCCOCCO
InChIInChI=1S/C4H6O4.C4H10O3.C2H4O2/c1-3(5)7-8-4(2)6;5-1-3-7-4-2-6;1-2(3)4/h1-2H3;5-6H,1-4H2;1H3,(H,3,4)
InChIKeySHSZYTXTORVQSK-UHFFFAOYSA-N
XLogP-0.89
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
chloro acetate;2-(2-hydroxyethoxy)ethanol
CID 170842530
acetic acid;2-(hydroxymethoxy)ethanol
CID 53447013
acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 175016263
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
bis(2-(2-hydroxyethoxy)ethanol);bis((Z)-4-hydroxypent-3-en-2-one);titanium
CID 170842616
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88625291
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tetrakis(2-methylprop-2-enoic acid)
CID 173364076
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88626217
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87059902
ethane-1,2-diol;2-hydroxyethyl ethaneperoxoate
CID 174290784
2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
CID 175224528

Frequently Asked Questions

What is the IUPAC name of acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol (CID 88742997) is acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol is CC(=O)O.CC(=O)OOC(C)=O.OCCOCCO.
What is the InChIKey of acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol?
The InChIKey is SHSZYTXTORVQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.C4H10O3.C2H4O2/c1-3(5)7-8-4(2)6;5-1-3-7-4-2-6;1-2(3)4/h1-2H3;5-6H,1-4H2;1H3,(H,3,4).
What are the key properties of acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol?
acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol has a molecular weight of 284.26 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 88742997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).