hexane;phosphane;dihydrochloride

C6H19Cl2P — CID 173449744

IUPAChexane;phosphane;dihydrochloride
SMILESCCCCCC.Cl.Cl.P
InChIInChI=1S/C6H14.2ClH.H3P/c1-3-5-6-4-2;;;/h3-6H2,1-2H3;2*1H;1H3
InChIKeyHMBKSCDMSKLWCG-UHFFFAOYSA-N
MW193.10 g/mol
LogP3.49
Rot. Bonds3

About hexane;phosphane;dihydrochloride

hexane;phosphane;dihydrochloride (PubChem CID 173449744) has the molecular formula C6H19Cl2P and a molecular weight of 193.10 g/mol. Its IUPAC name is hexane;phosphane;dihydrochloride.

Molecular Properties

Compound Namehexane;phosphane;dihydrochloride
PubChem CID173449744
Molecular FormulaC6H19Cl2P
Molecular Weight193.10 g/mol
Exact Mass192.06
IUPAC Namehexane;phosphane;dihydrochloride
SMILESCCCCCC.Cl.Cl.P
InChIInChI=1S/C6H14.2ClH.H3P/c1-3-5-6-4-2;;;/h3-6H2,1-2H3;2*1H;1H3
InChIKeyHMBKSCDMSKLWCG-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptane;phosphane;trihydrochloride
CID 175501735
dodecane;phosphane;dihydrochloride
CID 173449681
hexane;tetrahydrochloride
CID 18520801
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
nonadecane;hydrochloride
CID 172821128
pentacosane;hydrochloride
CID 172714496
methane;octane;dihydrochloride
CID 174397937
bis(octane);silane;dihydrochloride
CID 173470119
azane;tritriacontane;hydrochloride
CID 174841743
heptane;silane;trihydrochloride
CID 173470147
icosane;phosphane;hydrobromide
CID 172836983

Frequently Asked Questions

What is the IUPAC name of hexane;phosphane;dihydrochloride?
The IUPAC name of hexane;phosphane;dihydrochloride (CID 173449744) is hexane;phosphane;dihydrochloride.
What is the SMILES notation for hexane;phosphane;dihydrochloride?
The canonical SMILES for hexane;phosphane;dihydrochloride is CCCCCC.Cl.Cl.P.
What is the InChIKey of hexane;phosphane;dihydrochloride?
The InChIKey is HMBKSCDMSKLWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2ClH.H3P/c1-3-5-6-4-2;;;/h3-6H2,1-2H3;2*1H;1H3.
What are the key properties of hexane;phosphane;dihydrochloride?
hexane;phosphane;dihydrochloride has a molecular weight of 193.10 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;phosphane;dihydrochloride is sourced from PubChem (CID 173449744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).