8-hydroxyoctyl hypochlorite

C8H17ClO2 — CID 140551287

IUPAC8-hydroxyoctyl hypochlorite
SMILESOCCCCCCCCOCl
InChIInChI=1S/C8H17ClO2/c9-11-8-6-4-2-1-3-5-7-10/h10H,1-8H2
InChIKeyUDSOJVGHCWUPFW-UHFFFAOYSA-N
MW180.67 g/mol
LogP2.49
Rot. Bonds8

About 8-hydroxyoctyl hypochlorite

8-hydroxyoctyl hypochlorite (PubChem CID 140551287) has the molecular formula C8H17ClO2 and a molecular weight of 180.67 g/mol. Its IUPAC name is 8-hydroxyoctyl hypochlorite.

Molecular Properties

Compound Name8-hydroxyoctyl hypochlorite
PubChem CID140551287
Molecular FormulaC8H17ClO2
Molecular Weight180.67 g/mol
Exact Mass180.09
IUPAC Name8-hydroxyoctyl hypochlorite
SMILESOCCCCCCCCOCl
InChIInChI=1S/C8H17ClO2/c9-11-8-6-4-2-1-3-5-7-10/h10H,1-8H2
InChIKeyUDSOJVGHCWUPFW-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.67
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
tricosane-1,23-diol
CID 25144332
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
2-hydroxyethyl hypochlorite;hydrochloride
CID 175048980
5-(hydroxymethoxy)pentan-1-ol
CID 54230707
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
8-(trioxidanyl)octan-1-ol
CID 87737807

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyoctyl hypochlorite?
The IUPAC name of 8-hydroxyoctyl hypochlorite (CID 140551287) is 8-hydroxyoctyl hypochlorite.
What is the SMILES notation for 8-hydroxyoctyl hypochlorite?
The canonical SMILES for 8-hydroxyoctyl hypochlorite is OCCCCCCCCOCl.
What is the InChIKey of 8-hydroxyoctyl hypochlorite?
The InChIKey is UDSOJVGHCWUPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO2/c9-11-8-6-4-2-1-3-5-7-10/h10H,1-8H2.
What are the key properties of 8-hydroxyoctyl hypochlorite?
8-hydroxyoctyl hypochlorite has a molecular weight of 180.67 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyoctyl hypochlorite is sourced from PubChem (CID 140551287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).