dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate

C10H20B6Cl2F24K2-6 — CID 173060564

IUPACdipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate
SMILESCC(C)/C=[C-]\Cl.CC(C)CCCl.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[K+].[K+]
InChIInChI=1S/C5H11Cl.C5H8Cl.6BF4.2K.H/c2*1-5(2)3-4-6;6*2-1(3,4)5;;;/h5H,3-4H2,1-2H3;3,5H,1-2H3;;;;;;;;;/q;7*-1;2*+1;-1
InChIKeyJBYOFQPHRTXWLN-UHFFFAOYSA-N
MW810.20 g/mol
LogP6.39
Rot. Bonds3

About dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate

dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate (PubChem CID 173060564) has the molecular formula C10H20B6Cl2F24K2-6 and a molecular weight of 810.20 g/mol. Its IUPAC name is dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate.

Molecular Properties

Compound Namedipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate
PubChem CID173060564
Molecular FormulaC10H20B6Cl2F24K2-6
Molecular Weight810.20 g/mol
Exact Mass810.04
IUPAC Namedipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate
SMILESCC(C)/C=[C-]\Cl.CC(C)CCCl.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[K+].[K+]
InChIInChI=1S/C5H11Cl.C5H8Cl.6BF4.2K.H/c2*1-5(2)3-4-6;6*2-1(3,4)5;;;/h5H,3-4H2,1-2H3;3,5H,1-2H3;;;;;;;;;/q;7*-1;2*+1;-1
InChIKeyJBYOFQPHRTXWLN-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.20
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-methylbutane;hydrochloride
CID 172682521
formyl chloride;3-methylbutan-1-ol
CID 88598720
CID 175745189
CID 175745189
2,5-dimethylhexane;(E)-2,5-dimethylhex-3-ene
CID 160891186
sodium;4-chloro-2-methylbutanoic acid;hydride
CID 174487019
methyl-tris(2-methylpropyl)phosphanium tetrafluoroborate
CID 157046059
potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide
CID 107761100
(2S,3R)-2-(18F)fluoro-3,6-dimethylheptane
CID 153412007
1,2-dichloropropane;1-iodo-2-methylpropane
CID 88842909
chloroform;3-methylbutan-1-ol
CID 173101838
CID 57433789
CID 57433789
(Z)-but-2-ene;2,5-dimethylhexane
CID 144935211

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate?
The IUPAC name of dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate (CID 173060564) is dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate.
What is the SMILES notation for dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate?
The canonical SMILES for dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate is CC(C)/C=[C-]\Cl.CC(C)CCCl.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[K+].[K+].
What is the InChIKey of dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate?
The InChIKey is JBYOFQPHRTXWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.C5H8Cl.6BF4.2K.H/c2*1-5(2)3-4-6;6*2-1(3,4)5;;;/h5H,3-4H2,1-2H3;3,5H,1-2H3;;;;;;;;;/q;7*-1;2*+1;-1.
What are the key properties of dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate?
dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate has a molecular weight of 810.20 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-chloro-3-methylbutane;1-chloro-3-methylbut-1-ene;hydride;hexatetrafluoroborate is sourced from PubChem (CID 173060564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).