benzene;heptane;hexane;toluene

C26H44 — CID 160959480

IUPACbenzene;heptane;hexane;toluene
SMILESCCCCCC.CCCCCCC.Cc1ccccc1.c1ccccc1
InChIInChI=1S/C7H8.C7H16.C6H6.C6H14/c1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-2-4-6-5-3-1;1-3-5-6-4-2/h2-6H,1H3;3-7H2,1-2H3;1-6H;3-6H2,1-2H3
InChIKeySWVCNHAPZRRBQT-UHFFFAOYSA-N
MW356.64 g/mol
LogP9.24
Rot. Bonds7

About benzene;heptane;hexane;toluene

benzene;heptane;hexane;toluene (PubChem CID 160959480) has the molecular formula C26H44 and a molecular weight of 356.64 g/mol. Its IUPAC name is benzene;heptane;hexane;toluene.

Molecular Properties

Compound Namebenzene;heptane;hexane;toluene
PubChem CID160959480
Molecular FormulaC26H44
Molecular Weight356.64 g/mol
Exact Mass356.34
IUPAC Namebenzene;heptane;hexane;toluene
SMILESCCCCCC.CCCCCCC.Cc1ccccc1.c1ccccc1
InChIInChI=1S/C7H8.C7H16.C6H6.C6H14/c1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-2-4-6-5-3-1;1-3-5-6-4-2/h2-6H,1H3;3-7H2,1-2H3;1-6H;3-6H2,1-2H3
InChIKeySWVCNHAPZRRBQT-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 benzene;heptane;hexane;toluene?
The IUPAC name of benzene;heptane;hexane;toluene (CID 160959480) is benzene;heptane;hexane;toluene.
What is the SMILES notation for benzene;heptane;hexane;toluene?
The canonical SMILES for benzene;heptane;hexane;toluene is CCCCCC.CCCCCCC.Cc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;heptane;hexane;toluene?
The InChIKey is SWVCNHAPZRRBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C7H16.C6H6.C6H14/c1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;1-2-4-6-5-3-1;1-3-5-6-4-2/h2-6H,1H3;3-7H2,1-2H3;1-6H;3-6H2,1-2H3.
What are the key properties of benzene;heptane;hexane;toluene?
benzene;heptane;hexane;toluene has a molecular weight of 356.64 g/mol, XLogP of 9.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;heptane;hexane;toluene is sourced from PubChem (CID 160959480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).