hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride

C16H37Cl2F6MnP — CID 174488039

IUPAChexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride
SMILESCCCCCCCCCCCCCCCC.Cl.Cl.F[P-](F)(F)(F)(F)F.[H+].[Mn]
InChIInChI=1S/C16H34.2ClH.F6P.Mn/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;;1-7(2,3,4,5)6;/h3-16H2,1-2H3;2*1H;;/q;;;-1;/p+1
InChIKeyJHJBRYZHPWQRCN-UHFFFAOYSA-O
MW500.28 g/mol
LogP10.82
Rot. Bonds13

About hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride

hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride (PubChem CID 174488039) has the molecular formula C16H37Cl2F6MnP and a molecular weight of 500.28 g/mol. Its IUPAC name is hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride.

Molecular Properties

Compound Namehexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride
PubChem CID174488039
Molecular FormulaC16H37Cl2F6MnP
Molecular Weight500.28 g/mol
Exact Mass499.13
IUPAC Namehexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride
SMILESCCCCCCCCCCCCCCCC.Cl.Cl.F[P-](F)(F)(F)(F)F.[H+].[Mn]
InChIInChI=1S/C16H34.2ClH.F6P.Mn/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;;1-7(2,3,4,5)6;/h3-16H2,1-2H3;2*1H;;/q;;;-1;/p+1
InChIKeyJHJBRYZHPWQRCN-UHFFFAOYSA-O
XLogP10.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.28
LogP ≤ 510.82
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

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CID 173234782
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CID 172714496
nonadecane;hydrochloride
CID 172821128
methane;octane;dihydrochloride
CID 174397937
heptane;phosphane;trihydrochloride
CID 175501735
heptane;silane;trihydrochloride
CID 173470147
azane;tritriacontane;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride?
The IUPAC name of hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride (CID 174488039) is hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride.
What is the SMILES notation for hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride?
The canonical SMILES for hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride is CCCCCCCCCCCCCCCC.Cl.Cl.F[P-](F)(F)(F)(F)F.[H+].[Mn].
What is the InChIKey of hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride?
The InChIKey is JHJBRYZHPWQRCN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H34.2ClH.F6P.Mn/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;;1-7(2,3,4,5)6;/h3-16H2,1-2H3;2*1H;;/q;;;-1;/p+1.
What are the key properties of hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride?
hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride has a molecular weight of 500.28 g/mol, XLogP of 10.82, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane;hydron;manganese;hexafluorophosphate;dihydrochloride is sourced from PubChem (CID 174488039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).