methoxymethane;propane-1,1-diol;propanoic acid

C8H20O5 — CID 174468940

IUPACmethoxymethane;propane-1,1-diol;propanoic acid
SMILESCCC(=O)O.CCC(O)O.COC
InChIInChI=1S/C3H8O2.C3H6O2.C2H6O/c2*1-2-3(4)5;1-3-2/h3-5H,2H2,1H3;2H2,1H3,(H,4,5);1-2H3
InChIKeyPVMRXNYNTYIBOP-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.45
Rot. Bonds2

About methoxymethane;propane-1,1-diol;propanoic acid

methoxymethane;propane-1,1-diol;propanoic acid (PubChem CID 174468940) has the molecular formula C8H20O5 and a molecular weight of 196.24 g/mol. Its IUPAC name is methoxymethane;propane-1,1-diol;propanoic acid.

Molecular Properties

Compound Namemethoxymethane;propane-1,1-diol;propanoic acid
PubChem CID174468940
Molecular FormulaC8H20O5
Molecular Weight196.24 g/mol
Exact Mass196.13
IUPAC Namemethoxymethane;propane-1,1-diol;propanoic acid
SMILESCCC(=O)O.CCC(O)O.COC
InChIInChI=1S/C3H8O2.C3H6O2.C2H6O/c2*1-2-3(4)5;1-3-2/h3-5H,2H2,1H3;2H2,1H3,(H,4,5);1-2H3
InChIKeyPVMRXNYNTYIBOP-UHFFFAOYSA-N
XLogP0.45
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(hexanedioic acid);propane-1,1-diol
CID 157289592
indigane;propanoic acid
CID 173208103
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chromium;propanoic acid
CID 87085581
propanoic acid;yttrium
CID 59015039
propanoic acid;hydrate
CID 57432895
CID 87066971
CID 87066971
mercury(2+);propanoic acid
CID 23623813
alumane;propanoic acid
CID 173234599
nickel;propanoic acid
CID 54601332
propanoic acid;dihydrochloride
CID 87391840
propanoic acid;zirconium
CID 88666887

Frequently Asked Questions

What is the IUPAC name of methoxymethane;propane-1,1-diol;propanoic acid?
The IUPAC name of methoxymethane;propane-1,1-diol;propanoic acid (CID 174468940) is methoxymethane;propane-1,1-diol;propanoic acid.
What is the SMILES notation for methoxymethane;propane-1,1-diol;propanoic acid?
The canonical SMILES for methoxymethane;propane-1,1-diol;propanoic acid is CCC(=O)O.CCC(O)O.COC.
What is the InChIKey of methoxymethane;propane-1,1-diol;propanoic acid?
The InChIKey is PVMRXNYNTYIBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C3H6O2.C2H6O/c2*1-2-3(4)5;1-3-2/h3-5H,2H2,1H3;2H2,1H3,(H,4,5);1-2H3.
What are the key properties of methoxymethane;propane-1,1-diol;propanoic acid?
methoxymethane;propane-1,1-diol;propanoic acid has a molecular weight of 196.24 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;propane-1,1-diol;propanoic acid is sourced from PubChem (CID 174468940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).