hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one

C9H18ClNO2 — CID 69357273

IUPAChypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1.OCl
InChIInChI=1S/C9H17NO.ClHO/c1-8(2)5-7(11)6-9(3,4)10-8;1-2/h10H,5-6H2,1-4H3;2H
InChIKeyVLAOMHHXKUZAIQ-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.63
Rot. Bonds

About hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one

hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 69357273) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Namehypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one
PubChem CID69357273
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namehypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1.OCl
InChIInChI=1S/C9H17NO.ClHO/c1-8(2)5-7(11)6-9(3,4)10-8;1-2/h10H,5-6H2,1-4H3;2H
InChIKeyVLAOMHHXKUZAIQ-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one (CID 69357273) is hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)CC(C)(C)N1.OCl.
What is the InChIKey of hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is VLAOMHHXKUZAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClHO/c1-8(2)5-7(11)6-9(3,4)10-8;1-2/h10H,5-6H2,1-4H3;2H.
What are the key properties of hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one?
hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 207.70 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 69357273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).