acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol

C10H25NO6 — CID 174945184

IUPACacetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol
SMILESCC(=O)O.CC(O)CO.CN(C)C=O.COC
InChIInChI=1S/C3H7NO.C3H8O2.C2H4O2.C2H6O/c1-4(2)3-5;1-3(5)2-4;1-2(3)4;1-3-2/h3H,1-2H3;3-5H,2H2,1H3;1H3,(H,3,4);1-2H3
InChIKeyQHBXLGJFXOHQCK-UHFFFAOYSA-N
MW255.31 g/mol
LogP-0.58
Rot. Bonds2

About acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol

acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol (PubChem CID 174945184) has the molecular formula C10H25NO6 and a molecular weight of 255.31 g/mol. Its IUPAC name is acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol.

Molecular Properties

Compound Nameacetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol
PubChem CID174945184
Molecular FormulaC10H25NO6
Molecular Weight255.31 g/mol
Exact Mass255.17
IUPAC Nameacetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol
SMILESCC(=O)O.CC(O)CO.CN(C)C=O.COC
InChIInChI=1S/C3H7NO.C3H8O2.C2H4O2.C2H6O/c1-4(2)3-5;1-3(5)2-4;1-2(3)4;1-3-2/h3H,1-2H3;3-5H,2H2,1H3;1H3,(H,3,4);1-2H3
InChIKeyQHBXLGJFXOHQCK-UHFFFAOYSA-N
XLogP-0.58
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol?
The IUPAC name of acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol (CID 174945184) is acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol.
What is the SMILES notation for acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol?
The canonical SMILES for acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol is CC(=O)O.CC(O)CO.CN(C)C=O.COC.
What is the InChIKey of acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol?
The InChIKey is QHBXLGJFXOHQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C3H8O2.C2H4O2.C2H6O/c1-4(2)3-5;1-3(5)2-4;1-2(3)4;1-3-2/h3H,1-2H3;3-5H,2H2,1H3;1H3,(H,3,4);1-2H3.
What are the key properties of acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol?
acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol has a molecular weight of 255.31 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol is sourced from PubChem (CID 174945184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).