acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid

C6H12O7 — CID 88732357

IUPACacetic acid;2-[hydroxy(methoxy)methoxy]acetic acid
SMILESCC(=O)O.COC(O)OCC(=O)O
InChIInChI=1S/C4H8O5.C2H4O2/c1-8-4(7)9-2-3(5)6;1-2(3)4/h4,7H,2H2,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyGQTNOUFQHLQMGV-UHFFFAOYSA-N
MW196.15 g/mol
LogP-0.90
Rot. Bonds4

About acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid

acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid (PubChem CID 88732357) has the molecular formula C6H12O7 and a molecular weight of 196.15 g/mol. Its IUPAC name is acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid.

Molecular Properties

Compound Nameacetic acid;2-[hydroxy(methoxy)methoxy]acetic acid
PubChem CID88732357
Molecular FormulaC6H12O7
Molecular Weight196.15 g/mol
Exact Mass196.06
IUPAC Nameacetic acid;2-[hydroxy(methoxy)methoxy]acetic acid
SMILESCC(=O)O.COC(O)OCC(=O)O
InChIInChI=1S/C4H8O5.C2H4O2/c1-8-4(7)9-2-3(5)6;1-2(3)4/h4,7H,2H2,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyGQTNOUFQHLQMGV-UHFFFAOYSA-N
XLogP-0.90
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[hydroxy(methoxy)methoxy]acetic acid
CID 88732358
acetic acid;2-(dimethoxymethoxy)acetic acid
CID 88733225
carboxymethoxy-dihydroxy-methoxyphosphanium
CID 46905067
2-(1-methoxyethoxy)acetic acid;zinc
CID 174204539
3-(carboxymethoxy)-3-hydroxypropanoic acid
CID 173213514
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
2-(1-hydroxypropan-2-yloxy)acetic acid
CID 23129856
2-(1-methoxyethoxymethoxy)acetic acid
CID 87346668
acetic acid;methanetriol
CID 174483633
2-methoxyacetic acid;titanium
CID 174298740
2-methoxyacetic acid;silver
CID 158784523
2-heptan-4-yloxyacetic acid
CID 88738639

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid?
The IUPAC name of acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid (CID 88732357) is acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid.
What is the SMILES notation for acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid?
The canonical SMILES for acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid is CC(=O)O.COC(O)OCC(=O)O.
What is the InChIKey of acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid?
The InChIKey is GQTNOUFQHLQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O5.C2H4O2/c1-8-4(7)9-2-3(5)6;1-2(3)4/h4,7H,2H2,1H3,(H,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid?
acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid has a molecular weight of 196.15 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[hydroxy(methoxy)methoxy]acetic acid is sourced from PubChem (CID 88732357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).