acetic acid;acetonitrile;N,N-diethylethanamine;methanol

C11H26N2O3 — CID 159632516

IUPACacetic acid;acetonitrile;N,N-diethylethanamine;methanol
SMILESCC#N.CC(=O)O.CCN(CC)CC.CO
InChIInChI=1S/C6H15N.C2H3N.C2H4O2.CH4O/c1-4-7(5-2)6-3;1-2-3;1-2(3)4;1-2/h4-6H2,1-3H3;1H3;1H3,(H,3,4);2H,1H3
InChIKeyMPHQPSPGTKFABY-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.58
Rot. Bonds3

About acetic acid;acetonitrile;N,N-diethylethanamine;methanol

acetic acid;acetonitrile;N,N-diethylethanamine;methanol (PubChem CID 159632516) has the molecular formula C11H26N2O3 and a molecular weight of 234.34 g/mol. Its IUPAC name is acetic acid;acetonitrile;N,N-diethylethanamine;methanol.

Molecular Properties

Compound Nameacetic acid;acetonitrile;N,N-diethylethanamine;methanol
PubChem CID159632516
Molecular FormulaC11H26N2O3
Molecular Weight234.34 g/mol
Exact Mass234.19
IUPAC Nameacetic acid;acetonitrile;N,N-diethylethanamine;methanol
SMILESCC#N.CC(=O)O.CCN(CC)CC.CO
InChIInChI=1S/C6H15N.C2H3N.C2H4O2.CH4O/c1-4-7(5-2)6-3;1-2-3;1-2(3)4;1-2/h4-6H2,1-3H3;1H3;1H3,(H,3,4);2H,1H3
InChIKeyMPHQPSPGTKFABY-UHFFFAOYSA-N
XLogP1.58
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;acetonitrile;N,N-diethylethanamine;methanol?
The IUPAC name of acetic acid;acetonitrile;N,N-diethylethanamine;methanol (CID 159632516) is acetic acid;acetonitrile;N,N-diethylethanamine;methanol.
What is the SMILES notation for acetic acid;acetonitrile;N,N-diethylethanamine;methanol?
The canonical SMILES for acetic acid;acetonitrile;N,N-diethylethanamine;methanol is CC#N.CC(=O)O.CCN(CC)CC.CO.
What is the InChIKey of acetic acid;acetonitrile;N,N-diethylethanamine;methanol?
The InChIKey is MPHQPSPGTKFABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H3N.C2H4O2.CH4O/c1-4-7(5-2)6-3;1-2-3;1-2(3)4;1-2/h4-6H2,1-3H3;1H3;1H3,(H,3,4);2H,1H3.
What are the key properties of acetic acid;acetonitrile;N,N-diethylethanamine;methanol?
acetic acid;acetonitrile;N,N-diethylethanamine;methanol has a molecular weight of 234.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;acetonitrile;N,N-diethylethanamine;methanol is sourced from PubChem (CID 159632516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).