decane;hypochlorous acid

C10H23ClO — CID 88775425

IUPACdecane;hypochlorous acid
SMILESCCCCCCCCCC.OCl
InChIInChI=1S/C10H22.ClHO/c1-3-5-7-9-10-8-6-4-2;1-2/h3-10H2,1-2H3;2H
InChIKeyCXPBHVWGTSXJMY-UHFFFAOYSA-N
MW194.75 g/mol
LogP4.28
Rot. Bonds7

About decane;hypochlorous acid

decane;hypochlorous acid (PubChem CID 88775425) has the molecular formula C10H23ClO and a molecular weight of 194.75 g/mol. Its IUPAC name is decane;hypochlorous acid.

Molecular Properties

Compound Namedecane;hypochlorous acid
PubChem CID88775425
Molecular FormulaC10H23ClO
Molecular Weight194.75 g/mol
Exact Mass194.14
IUPAC Namedecane;hypochlorous acid
SMILESCCCCCCCCCC.OCl
InChIInChI=1S/C10H22.ClHO/c1-3-5-7-9-10-8-6-4-2;1-2/h3-10H2,1-2H3;2H
InChIKeyCXPBHVWGTSXJMY-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.75
LogP ≤ 54.28
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

hexane;hypochlorous acid
CID 88775298
methanol;undecane
CID 161373911
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250

Frequently Asked Questions

What is the IUPAC name of decane;hypochlorous acid?
The IUPAC name of decane;hypochlorous acid (CID 88775425) is decane;hypochlorous acid.
What is the SMILES notation for decane;hypochlorous acid?
The canonical SMILES for decane;hypochlorous acid is CCCCCCCCCC.OCl.
What is the InChIKey of decane;hypochlorous acid?
The InChIKey is CXPBHVWGTSXJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.ClHO/c1-3-5-7-9-10-8-6-4-2;1-2/h3-10H2,1-2H3;2H.
What are the key properties of decane;hypochlorous acid?
decane;hypochlorous acid has a molecular weight of 194.75 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decane;hypochlorous acid is sourced from PubChem (CID 88775425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).