hexane;methanol;toluene

C14H26O — CID 19733540

IUPAChexane;methanol;toluene
SMILESCCCCCC.CO.Cc1ccccc1
InChIInChI=1S/C7H8.C6H14.CH4O/c1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-2/h2-6H,1H3;3-6H2,1-2H3;2H,1H3
InChIKeyDAKQEOMXNOBQRG-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.19
Rot. Bonds3

About hexane;methanol;toluene

hexane;methanol;toluene (PubChem CID 19733540) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is hexane;methanol;toluene.

Molecular Properties

Compound Namehexane;methanol;toluene
PubChem CID19733540
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Namehexane;methanol;toluene
SMILESCCCCCC.CO.Cc1ccccc1
InChIInChI=1S/C7H8.C6H14.CH4O/c1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-2/h2-6H,1H3;3-6H2,1-2H3;2H,1H3
InChIKeyDAKQEOMXNOBQRG-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of hexane;methanol;toluene?
The IUPAC name of hexane;methanol;toluene (CID 19733540) is hexane;methanol;toluene.
What is the SMILES notation for hexane;methanol;toluene?
The canonical SMILES for hexane;methanol;toluene is CCCCCC.CO.Cc1ccccc1.
What is the InChIKey of hexane;methanol;toluene?
The InChIKey is DAKQEOMXNOBQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H14.CH4O/c1-7-5-3-2-4-6-7;1-3-5-6-4-2;1-2/h2-6H,1H3;3-6H2,1-2H3;2H,1H3.
What are the key properties of hexane;methanol;toluene?
hexane;methanol;toluene has a molecular weight of 210.36 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;methanol;toluene is sourced from PubChem (CID 19733540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).