hexane;propan-2-ol;toluene

C16H30O — CID 70146833

IUPAChexane;propan-2-ol;toluene
SMILESCC(C)O.CCCCCC.Cc1ccccc1
InChIInChI=1S/C7H8.C6H14.C3H8O/c1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-3(2)4/h2-6H,1H3;3-6H2,1-2H3;3-4H,1-2H3
InChIKeyZMBWMFUUNNGZAM-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.97
Rot. Bonds3

About hexane;propan-2-ol;toluene

hexane;propan-2-ol;toluene (PubChem CID 70146833) has the molecular formula C16H30O and a molecular weight of 238.42 g/mol. Its IUPAC name is hexane;propan-2-ol;toluene.

Molecular Properties

Compound Namehexane;propan-2-ol;toluene
PubChem CID70146833
Molecular FormulaC16H30O
Molecular Weight238.42 g/mol
Exact Mass238.23
IUPAC Namehexane;propan-2-ol;toluene
SMILESCC(C)O.CCCCCC.Cc1ccccc1
InChIInChI=1S/C7H8.C6H14.C3H8O/c1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-3(2)4/h2-6H,1H3;3-6H2,1-2H3;3-4H,1-2H3
InChIKeyZMBWMFUUNNGZAM-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hexane;propan-2-ol;toluene?
The IUPAC name of hexane;propan-2-ol;toluene (CID 70146833) is hexane;propan-2-ol;toluene.
What is the SMILES notation for hexane;propan-2-ol;toluene?
The canonical SMILES for hexane;propan-2-ol;toluene is CC(C)O.CCCCCC.Cc1ccccc1.
What is the InChIKey of hexane;propan-2-ol;toluene?
The InChIKey is ZMBWMFUUNNGZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H14.C3H8O/c1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-3(2)4/h2-6H,1H3;3-6H2,1-2H3;3-4H,1-2H3.
What are the key properties of hexane;propan-2-ol;toluene?
hexane;propan-2-ol;toluene has a molecular weight of 238.42 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;propan-2-ol;toluene is sourced from PubChem (CID 70146833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).