hexane;hydron

C6H16+2 — CID 174049109

IUPAChexane;hydron
SMILESCCCCCC.[H+].[H+]
InChIInChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/p+2
InChIKeyVLKZOEOYAKHREP-UHFFFAOYSA-P
MW88.19 g/mol
LogP2.81
Rot. Bonds3

About hexane;hydron

hexane;hydron (PubChem CID 174049109) has the molecular formula C6H16+2 and a molecular weight of 88.19 g/mol. Its IUPAC name is hexane;hydron.

Molecular Properties

Compound Namehexane;hydron
PubChem CID174049109
Molecular FormulaC6H16+2
Molecular Weight88.19 g/mol
Exact Mass88.12
IUPAC Namehexane;hydron
SMILESCCCCCC.[H+].[H+]
InChIInChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/p+2
InChIKeyVLKZOEOYAKHREP-UHFFFAOYSA-P
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.19
LogP ≤ 52.81
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

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexane;molybdenum
CID 162092649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexane;tetrahydrate
CID 174107213
decane;heptane
CID 159049036
henoctacontane
CID 22086342
hexane;tetrahydrochloride
CID 18520801
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of hexane;hydron?
The IUPAC name of hexane;hydron (CID 174049109) is hexane;hydron.
What is the SMILES notation for hexane;hydron?
The canonical SMILES for hexane;hydron is CCCCCC.[H+].[H+].
What is the InChIKey of hexane;hydron?
The InChIKey is VLKZOEOYAKHREP-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/p+2.
What are the key properties of hexane;hydron?
hexane;hydron has a molecular weight of 88.19 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;hydron is sourced from PubChem (CID 174049109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).