acetic acid;2-(2-hydroxyethoxy)ethanol

C12H26O11 — CID 158067636

IUPACacetic acid;2-(2-hydroxyethoxy)ethanol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCCOCCO
InChIInChI=1S/C4H10O3.4C2H4O2/c5-1-3-7-4-2-6;4*1-2(3)4/h5-6H,1-4H2;4*1H3,(H,3,4)
InChIKeyFLKUPZBGOJGPOV-UHFFFAOYSA-N
MW346.33 g/mol
LogP-0.65
Rot. Bonds4

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

acetic acid;2-(2-hydroxyethoxy)ethanol (PubChem CID 158067636) has the molecular formula C12H26O11 and a molecular weight of 346.33 g/mol. Its IUPAC name is acetic acid;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Nameacetic acid;2-(2-hydroxyethoxy)ethanol
PubChem CID158067636
Molecular FormulaC12H26O11
Molecular Weight346.33 g/mol
Exact Mass346.15
IUPAC Nameacetic acid;2-(2-hydroxyethoxy)ethanol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCCOCCO
InChIInChI=1S/C4H10O3.4C2H4O2/c5-1-3-7-4-2-6;4*1-2(3)4/h5-6H,1-4H2;4*1H3,(H,3,4)
InChIKeyFLKUPZBGOJGPOV-UHFFFAOYSA-N
XLogP-0.65
TPSA198.89 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol
CID 88742997
acetic acid;2-(hydroxymethoxy)ethanol
CID 53447013
chloro acetate;2-(2-hydroxyethoxy)ethanol
CID 170842530
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-[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
2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
CID 175224528
ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
CID 146319223
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of acetic acid;2-(2-hydroxyethoxy)ethanol (CID 158067636) is acetic acid;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for acetic acid;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for acetic acid;2-(2-hydroxyethoxy)ethanol is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCCOCCO.
What is the InChIKey of acetic acid;2-(2-hydroxyethoxy)ethanol?
The InChIKey is FLKUPZBGOJGPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.4C2H4O2/c5-1-3-7-4-2-6;4*1-2(3)4/h5-6H,1-4H2;4*1H3,(H,3,4).
What are the key properties of acetic acid;2-(2-hydroxyethoxy)ethanol?
acetic acid;2-(2-hydroxyethoxy)ethanol has a molecular weight of 346.33 g/mol, XLogP of -0.65, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 158067636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).