acetic acid;2-(hydroxymethoxy)ethanol

C7H16O7 — CID 53447013

IUPACacetic acid;2-(hydroxymethoxy)ethanol
SMILESCC(=O)O.CC(=O)O.OCCOCO
InChIInChI=1S/C3H8O3.2C2H4O2/c4-1-2-6-3-5;2*1-2(3)4/h4-5H,1-3H2;2*1H3,(H,3,4)
InChIKeyVZSAVVXAWLAOMO-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.87
Rot. Bonds3

About acetic acid;2-(hydroxymethoxy)ethanol

acetic acid;2-(hydroxymethoxy)ethanol (PubChem CID 53447013) has the molecular formula C7H16O7 and a molecular weight of 212.20 g/mol. Its IUPAC name is acetic acid;2-(hydroxymethoxy)ethanol.

Molecular Properties

Compound Nameacetic acid;2-(hydroxymethoxy)ethanol
PubChem CID53447013
Molecular FormulaC7H16O7
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC Nameacetic acid;2-(hydroxymethoxy)ethanol
SMILESCC(=O)O.CC(=O)O.OCCOCO
InChIInChI=1S/C3H8O3.2C2H4O2/c4-1-2-6-3-5;2*1-2(3)4/h4-5H,1-3H2;2*1H3,(H,3,4)
InChIKeyVZSAVVXAWLAOMO-UHFFFAOYSA-N
XLogP-0.87
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol
CID 88742997
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
bis(2-(2-hydroxyethoxy)ethanol);bis((Z)-4-hydroxypent-3-en-2-one);titanium
CID 170842616

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(hydroxymethoxy)ethanol?
The IUPAC name of acetic acid;2-(hydroxymethoxy)ethanol (CID 53447013) is acetic acid;2-(hydroxymethoxy)ethanol.
What is the SMILES notation for acetic acid;2-(hydroxymethoxy)ethanol?
The canonical SMILES for acetic acid;2-(hydroxymethoxy)ethanol is CC(=O)O.CC(=O)O.OCCOCO.
What is the InChIKey of acetic acid;2-(hydroxymethoxy)ethanol?
The InChIKey is VZSAVVXAWLAOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.2C2H4O2/c4-1-2-6-3-5;2*1-2(3)4/h4-5H,1-3H2;2*1H3,(H,3,4).
What are the key properties of acetic acid;2-(hydroxymethoxy)ethanol?
acetic acid;2-(hydroxymethoxy)ethanol has a molecular weight of 212.20 g/mol, XLogP of -0.87, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(hydroxymethoxy)ethanol is sourced from PubChem (CID 53447013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).