ethanol;4-methylpentan-2-one;propan-2-ol;toluene

C18H34O3 — CID 158726124

IUPACethanol;4-methylpentan-2-one;propan-2-ol;toluene
SMILESCC(=O)CC(C)C.CC(C)O.CCO.Cc1ccccc1
InChIInChI=1S/C7H8.C6H12O.C3H8O.C2H6O/c1-7-5-3-2-4-6-7;1-5(2)4-6(3)7;1-3(2)4;1-2-3/h2-6H,1H3;5H,4H2,1-3H3;3-4H,1-2H3;3H,2H2,1H3
InChIKeyIKNGORLPCNOOFE-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.00
Rot. Bonds2

About ethanol;4-methylpentan-2-one;propan-2-ol;toluene

ethanol;4-methylpentan-2-one;propan-2-ol;toluene (PubChem CID 158726124) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethanol;4-methylpentan-2-one;propan-2-ol;toluene.

Molecular Properties

Compound Nameethanol;4-methylpentan-2-one;propan-2-ol;toluene
PubChem CID158726124
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Nameethanol;4-methylpentan-2-one;propan-2-ol;toluene
SMILESCC(=O)CC(C)C.CC(C)O.CCO.Cc1ccccc1
InChIInChI=1S/C7H8.C6H12O.C3H8O.C2H6O/c1-7-5-3-2-4-6-7;1-5(2)4-6(3)7;1-3(2)4;1-2-3/h2-6H,1H3;5H,4H2,1-3H3;3-4H,1-2H3;3H,2H2,1H3
InChIKeyIKNGORLPCNOOFE-UHFFFAOYSA-N
XLogP4.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanol;4-methylpentan-2-one;propan-2-ol;toluene?
The IUPAC name of ethanol;4-methylpentan-2-one;propan-2-ol;toluene (CID 158726124) is ethanol;4-methylpentan-2-one;propan-2-ol;toluene.
What is the SMILES notation for ethanol;4-methylpentan-2-one;propan-2-ol;toluene?
The canonical SMILES for ethanol;4-methylpentan-2-one;propan-2-ol;toluene is CC(=O)CC(C)C.CC(C)O.CCO.Cc1ccccc1.
What is the InChIKey of ethanol;4-methylpentan-2-one;propan-2-ol;toluene?
The InChIKey is IKNGORLPCNOOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H12O.C3H8O.C2H6O/c1-7-5-3-2-4-6-7;1-5(2)4-6(3)7;1-3(2)4;1-2-3/h2-6H,1H3;5H,4H2,1-3H3;3-4H,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;4-methylpentan-2-one;propan-2-ol;toluene?
ethanol;4-methylpentan-2-one;propan-2-ol;toluene has a molecular weight of 298.47 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-methylpentan-2-one;propan-2-ol;toluene is sourced from PubChem (CID 158726124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).