acetic acid;acetonitrile;cyclohexane;toluene

C17H27NO2 — CID 18328192

IUPACacetic acid;acetonitrile;cyclohexane;toluene
SMILESC1CCCCC1.CC#N.CC(=O)O.Cc1ccccc1
InChIInChI=1S/C7H8.C6H12.C2H3N.C2H4O2/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-3;1-2(3)4/h2-6H,1H3;1-6H2;1H3;1H3,(H,3,4)
InChIKeyIKQWAIWWZLWAHC-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.96
Rot. Bonds

About acetic acid;acetonitrile;cyclohexane;toluene

acetic acid;acetonitrile;cyclohexane;toluene (PubChem CID 18328192) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is acetic acid;acetonitrile;cyclohexane;toluene.

Molecular Properties

Compound Nameacetic acid;acetonitrile;cyclohexane;toluene
PubChem CID18328192
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameacetic acid;acetonitrile;cyclohexane;toluene
SMILESC1CCCCC1.CC#N.CC(=O)O.Cc1ccccc1
InChIInChI=1S/C7H8.C6H12.C2H3N.C2H4O2/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-3;1-2(3)4/h2-6H,1H3;1-6H2;1H3;1H3,(H,3,4)
InChIKeyIKQWAIWWZLWAHC-UHFFFAOYSA-N
XLogP4.96
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze acetic acid;acetonitrile;cyclohexane;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;acetonitrile;cyclohexane;toluene?
The IUPAC name of acetic acid;acetonitrile;cyclohexane;toluene (CID 18328192) is acetic acid;acetonitrile;cyclohexane;toluene.
What is the SMILES notation for acetic acid;acetonitrile;cyclohexane;toluene?
The canonical SMILES for acetic acid;acetonitrile;cyclohexane;toluene is C1CCCCC1.CC#N.CC(=O)O.Cc1ccccc1.
What is the InChIKey of acetic acid;acetonitrile;cyclohexane;toluene?
The InChIKey is IKQWAIWWZLWAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H12.C2H3N.C2H4O2/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-3;1-2(3)4/h2-6H,1H3;1-6H2;1H3;1H3,(H,3,4).
What are the key properties of acetic acid;acetonitrile;cyclohexane;toluene?
acetic acid;acetonitrile;cyclohexane;toluene has a molecular weight of 277.41 g/mol, XLogP of 4.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;acetonitrile;cyclohexane;toluene is sourced from PubChem (CID 18328192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).