[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-)

C12H26AuCl4NO — CID 2750756

IUPAC[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-)
SMILESC[NH2+]CC(O)C1(C)CCC(C)C1(C)C.Cl[Au-](Cl)(Cl)Cl
InChIInChI=1S/C12H25NO.Au.4ClH/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5;;;;;/h9-10,13-14H,6-8H2,1-5H3;;4*1H/q;+3;;;;/p-3
InChIKeyMWNFZFOIGDQVBI-UHFFFAOYSA-K
MW539.13 g/mol
LogP3.76
Rot. Bonds3

About [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-)

[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-) (PubChem CID 2750756) has the molecular formula C12H26AuCl4NO and a molecular weight of 539.13 g/mol. Its IUPAC name is [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-).

Molecular Properties

Compound Name[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-)
PubChem CID2750756
Molecular FormulaC12H26AuCl4NO
Molecular Weight539.13 g/mol
Exact Mass537.04
IUPAC Name[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-)
SMILESC[NH2+]CC(O)C1(C)CCC(C)C1(C)C.Cl[Au-](Cl)(Cl)Cl
InChIInChI=1S/C12H25NO.Au.4ClH/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5;;;;;/h9-10,13-14H,6-8H2,1-5H3;;4*1H/q;+3;;;;/p-3
InChIKeyMWNFZFOIGDQVBI-UHFFFAOYSA-K
XLogP3.76
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.13
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-)?
The IUPAC name of [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-) (CID 2750756) is [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-).
What is the SMILES notation for [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-)?
The canonical SMILES for [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-) is C[NH2+]CC(O)C1(C)CCC(C)C1(C)C.Cl[Au-](Cl)(Cl)Cl.
What is the InChIKey of [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-)?
The InChIKey is MWNFZFOIGDQVBI-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H25NO.Au.4ClH/c1-9-6-7-12(4,11(9,2)3)10(14)8-13-5;;;;;/h9-10,13-14H,6-8H2,1-5H3;;4*1H/q;+3;;;;/p-3.
What are the key properties of [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-)?
[2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-) has a molecular weight of 539.13 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(1,2,2,3-tetramethylcyclopentyl)ethyl]-methylazanium;tetrachlorogold(1-) is sourced from PubChem (CID 2750756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).