hexane;hypochlorous acid

C6H15ClO — CID 88775298

IUPAChexane;hypochlorous acid
SMILESCCCCCC.OCl
InChIInChI=1S/C6H14.ClHO/c1-3-5-6-4-2;1-2/h3-6H2,1-2H3;2H
InChIKeyWFYFNYRIQAUMFD-UHFFFAOYSA-N
MW138.64 g/mol
LogP2.72
Rot. Bonds3

About hexane;hypochlorous acid

hexane;hypochlorous acid (PubChem CID 88775298) has the molecular formula C6H15ClO and a molecular weight of 138.64 g/mol. Its IUPAC name is hexane;hypochlorous acid.

Molecular Properties

Compound Namehexane;hypochlorous acid
PubChem CID88775298
Molecular FormulaC6H15ClO
Molecular Weight138.64 g/mol
Exact Mass138.08
IUPAC Namehexane;hypochlorous acid
SMILESCCCCCC.OCl
InChIInChI=1S/C6H14.ClHO/c1-3-5-6-4-2;1-2/h3-6H2,1-2H3;2H
InChIKeyWFYFNYRIQAUMFD-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.64
LogP ≤ 52.72
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

decane;hypochlorous acid
CID 88775425
beryllium;hexane;hydride
CID 173045264
methanol;undecane
CID 161373911
19,20-dichlorooctatriacont-19-ene
CID 141390822
decane;heptane
CID 159049036
hexane;hydron
CID 174049109
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexane;molybdenum
CID 162092649
hexane;tetrahydrate
CID 174107213
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of hexane;hypochlorous acid?
The IUPAC name of hexane;hypochlorous acid (CID 88775298) is hexane;hypochlorous acid.
What is the SMILES notation for hexane;hypochlorous acid?
The canonical SMILES for hexane;hypochlorous acid is CCCCCC.OCl.
What is the InChIKey of hexane;hypochlorous acid?
The InChIKey is WFYFNYRIQAUMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.ClHO/c1-3-5-6-4-2;1-2/h3-6H2,1-2H3;2H.
What are the key properties of hexane;hypochlorous acid?
hexane;hypochlorous acid has a molecular weight of 138.64 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;hypochlorous acid is sourced from PubChem (CID 88775298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).