acetic acid;N,N-dimethylformamide;ethanol

C7H17NO4 — CID 88751459

IUPACacetic acid;N,N-dimethylformamide;ethanol
SMILESCC(=O)O.CCO.CN(C)C=O
InChIInChI=1S/C3H7NO.C2H4O2.C2H6O/c1-4(2)3-5;1-2(3)4;1-2-3/h3H,1-2H3;1H3,(H,3,4);3H,2H2,1H3
InChIKeyUVSMPXZOOQOBDM-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.21
Rot. Bonds1

About acetic acid;N,N-dimethylformamide;ethanol

acetic acid;N,N-dimethylformamide;ethanol (PubChem CID 88751459) has the molecular formula C7H17NO4 and a molecular weight of 179.22 g/mol. Its IUPAC name is acetic acid;N,N-dimethylformamide;ethanol.

Molecular Properties

Compound Nameacetic acid;N,N-dimethylformamide;ethanol
PubChem CID88751459
Molecular FormulaC7H17NO4
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Nameacetic acid;N,N-dimethylformamide;ethanol
SMILESCC(=O)O.CCO.CN(C)C=O
InChIInChI=1S/C3H7NO.C2H4O2.C2H6O/c1-4(2)3-5;1-2(3)4;1-2-3/h3H,1-2H3;1H3,(H,3,4);3H,2H2,1H3
InChIKeyUVSMPXZOOQOBDM-UHFFFAOYSA-N
XLogP-0.21
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylformamide;ethanol;methanol;propan-2-one
CID 172828368
acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol
CID 174945184
dichloromethane;N,N-dimethylformamide;propan-2-one
CID 172808068
acetic acid;N,N-diethylformamide
CID 172752961
CID 159352431
CID 159352431
2-aminoethanol;N,N-dimethylformamide
CID 88603613
N,N-dimethylformamide;molecular chlorine
CID 86751989
pentakis(N,N-dimethylformamide);ethane
CID 54023735
N,N-dimethylformamide;dodecane
CID 174900991
acetic acid;propanal;hydrate
CID 160743945
N,N-dimethylformamide;2-methyloct-2-enoic acid
CID 161449780
2-butylhexanoic acid;N,N-dimethylformamide
CID 19350390

Frequently Asked Questions

What is the IUPAC name of acetic acid;N,N-dimethylformamide;ethanol?
The IUPAC name of acetic acid;N,N-dimethylformamide;ethanol (CID 88751459) is acetic acid;N,N-dimethylformamide;ethanol.
What is the SMILES notation for acetic acid;N,N-dimethylformamide;ethanol?
The canonical SMILES for acetic acid;N,N-dimethylformamide;ethanol is CC(=O)O.CCO.CN(C)C=O.
What is the InChIKey of acetic acid;N,N-dimethylformamide;ethanol?
The InChIKey is UVSMPXZOOQOBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C2H4O2.C2H6O/c1-4(2)3-5;1-2(3)4;1-2-3/h3H,1-2H3;1H3,(H,3,4);3H,2H2,1H3.
What are the key properties of acetic acid;N,N-dimethylformamide;ethanol?
acetic acid;N,N-dimethylformamide;ethanol has a molecular weight of 179.22 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N,N-dimethylformamide;ethanol is sourced from PubChem (CID 88751459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).