acetic acid;acetyloxymethyl acetate

C11H20O10 — CID 175421869

IUPACacetic acid;acetyloxymethyl acetate
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)OCOC(C)=O
InChIInChI=1S/C5H8O4.3C2H4O2/c1-4(6)8-3-9-5(2)7;3*1-2(3)4/h3H2,1-2H3;3*1H3,(H,3,4)
InChIKeyYLECDBSNWWMCSG-UHFFFAOYSA-N
MW312.27 g/mol
LogP0.34
Rot. Bonds2

About acetic acid;acetyloxymethyl acetate

acetic acid;acetyloxymethyl acetate (PubChem CID 175421869) has the molecular formula C11H20O10 and a molecular weight of 312.27 g/mol. Its IUPAC name is acetic acid;acetyloxymethyl acetate.

Molecular Properties

Compound Nameacetic acid;acetyloxymethyl acetate
PubChem CID175421869
Molecular FormulaC11H20O10
Molecular Weight312.27 g/mol
Exact Mass312.11
IUPAC Nameacetic acid;acetyloxymethyl acetate
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)OCOC(C)=O
InChIInChI=1S/C5H8O4.3C2H4O2/c1-4(6)8-3-9-5(2)7;3*1-2(3)4/h3H2,1-2H3;3*1H3,(H,3,4)
InChIKeyYLECDBSNWWMCSG-UHFFFAOYSA-N
XLogP0.34
TPSA164.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

acetyloxymethyl acetate;azane
CID 172795061
bis(acetyloxymethyl) propanedioate
CID 59124845
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
acetic acid;azane;ethyl acetate
CID 25050725
acetic acid;ethyl acetate;hydroiodide
CID 174390773
acetyl acetate;acetyloxymethyl acetate;hydroxymethyl acetate
CID 158119502
acetyloxymethoxymethanedithioic acid
CID 175203705
acetyloxymethyl 4-oxopentanoate
CID 88539026
chloromethoxycarbonyloxymethyl acetate
CID 54336470
sodium;acetic acid;boranuide;ethyl acetate
CID 174143954
acetic acid;ethyl acetate;methanol;hydrate
CID 22501395
acetic acid;ruthenium
CID 175502908

Frequently Asked Questions

What is the IUPAC name of acetic acid;acetyloxymethyl acetate?
The IUPAC name of acetic acid;acetyloxymethyl acetate (CID 175421869) is acetic acid;acetyloxymethyl acetate.
What is the SMILES notation for acetic acid;acetyloxymethyl acetate?
The canonical SMILES for acetic acid;acetyloxymethyl acetate is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)OCOC(C)=O.
What is the InChIKey of acetic acid;acetyloxymethyl acetate?
The InChIKey is YLECDBSNWWMCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4.3C2H4O2/c1-4(6)8-3-9-5(2)7;3*1-2(3)4/h3H2,1-2H3;3*1H3,(H,3,4).
What are the key properties of acetic acid;acetyloxymethyl acetate?
acetic acid;acetyloxymethyl acetate has a molecular weight of 312.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;acetyloxymethyl acetate is sourced from PubChem (CID 175421869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).