octane;oxotin;hydrochloride

C8H19ClOSn — CID 173066555

IUPACoctane;oxotin;hydrochloride
SMILESCCCCCCCC.Cl.O=[Sn]
InChIInChI=1S/C8H18.ClH.O.Sn/c1-3-5-7-8-6-4-2;;;/h3-8H2,1-2H3;1H;;
InChIKeyTYAQXSCZCHOUIS-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.29
Rot. Bonds5

About octane;oxotin;hydrochloride

octane;oxotin;hydrochloride (PubChem CID 173066555) has the molecular formula C8H19ClOSn and a molecular weight of 285.40 g/mol. Its IUPAC name is octane;oxotin;hydrochloride.

Molecular Properties

Compound Nameoctane;oxotin;hydrochloride
PubChem CID173066555
Molecular FormulaC8H19ClOSn
Molecular Weight285.40 g/mol
Exact Mass286.01
IUPAC Nameoctane;oxotin;hydrochloride
SMILESCCCCCCCC.Cl.O=[Sn]
InChIInChI=1S/C8H18.ClH.O.Sn/c1-3-5-7-8-6-4-2;;;/h3-8H2,1-2H3;1H;;
InChIKeyTYAQXSCZCHOUIS-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 161246447
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Frequently Asked Questions

What is the IUPAC name of octane;oxotin;hydrochloride?
The IUPAC name of octane;oxotin;hydrochloride (CID 173066555) is octane;oxotin;hydrochloride.
What is the SMILES notation for octane;oxotin;hydrochloride?
The canonical SMILES for octane;oxotin;hydrochloride is CCCCCCCC.Cl.O=[Sn].
What is the InChIKey of octane;oxotin;hydrochloride?
The InChIKey is TYAQXSCZCHOUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.ClH.O.Sn/c1-3-5-7-8-6-4-2;;;/h3-8H2,1-2H3;1H;;.
What are the key properties of octane;oxotin;hydrochloride?
octane;oxotin;hydrochloride has a molecular weight of 285.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octane;oxotin;hydrochloride is sourced from PubChem (CID 173066555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).