hypochlorous acid;pentanoic acid

C5H11ClO3 — CID 157152267

IUPAChypochlorous acid;pentanoic acid
SMILESCCCCC(=O)O.OCl
InChIInChI=1S/C5H10O2.ClHO/c1-2-3-4-5(6)7;1-2/h2-4H2,1H3,(H,6,7);2H
InChIKeyALJWDYGSBFLEBI-UHFFFAOYSA-N
MW154.59 g/mol
LogP1.39
Rot. Bonds3

About hypochlorous acid;pentanoic acid

hypochlorous acid;pentanoic acid (PubChem CID 157152267) has the molecular formula C5H11ClO3 and a molecular weight of 154.59 g/mol. Its IUPAC name is hypochlorous acid;pentanoic acid.

Molecular Properties

Compound Namehypochlorous acid;pentanoic acid
PubChem CID157152267
Molecular FormulaC5H11ClO3
Molecular Weight154.59 g/mol
Exact Mass154.04
IUPAC Namehypochlorous acid;pentanoic acid
SMILESCCCCC(=O)O.OCl
InChIInChI=1S/C5H10O2.ClHO/c1-2-3-4-5(6)7;1-2/h2-4H2,1H3,(H,6,7);2H
InChIKeyALJWDYGSBFLEBI-UHFFFAOYSA-N
XLogP1.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.59
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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icosane;pentanoic acid
CID 159151393
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pentanoic acid;propan-1-ol
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CID 91530241
CID 91530241

Frequently Asked Questions

What is the IUPAC name of hypochlorous acid;pentanoic acid?
The IUPAC name of hypochlorous acid;pentanoic acid (CID 157152267) is hypochlorous acid;pentanoic acid.
What is the SMILES notation for hypochlorous acid;pentanoic acid?
The canonical SMILES for hypochlorous acid;pentanoic acid is CCCCC(=O)O.OCl.
What is the InChIKey of hypochlorous acid;pentanoic acid?
The InChIKey is ALJWDYGSBFLEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.ClHO/c1-2-3-4-5(6)7;1-2/h2-4H2,1H3,(H,6,7);2H.
What are the key properties of hypochlorous acid;pentanoic acid?
hypochlorous acid;pentanoic acid has a molecular weight of 154.59 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hypochlorous acid;pentanoic acid is sourced from PubChem (CID 157152267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).