bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride

C14H22Cl2N2O2Pt — CID 25004234

IUPACbis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride
SMILESN#CC1CCCCC1O.N#CC1CCCCC1O.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/2C7H11NO.2ClH.Pt/c2*8-5-6-3-1-2-4-7(6)9;;;/h2*6-7,9H,1-4H2;2*1H;/q;;;;+2/p-2
InChIKeyMCJUUYBVGGARBD-UHFFFAOYSA-L
MW516.33 g/mol
LogP-3.87
Rot. Bonds

About bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride

bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride (PubChem CID 25004234) has the molecular formula C14H22Cl2N2O2Pt and a molecular weight of 516.33 g/mol. Its IUPAC name is bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride.

Molecular Properties

Compound Namebis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride
PubChem CID25004234
Molecular FormulaC14H22Cl2N2O2Pt
Molecular Weight516.33 g/mol
Exact Mass515.07
IUPAC Namebis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride
SMILESN#CC1CCCCC1O.N#CC1CCCCC1O.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/2C7H11NO.2ClH.Pt/c2*8-5-6-3-1-2-4-7(6)9;;;/h2*6-7,9H,1-4H2;2*1H;/q;;;;+2/p-2
InChIKeyMCJUUYBVGGARBD-UHFFFAOYSA-L
XLogP-3.87
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.33
LogP ≤ 5-3.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxycyclohexane-1-carbonitrile
CID 543100
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
cis-(1S,2R)-2-ethynylcyclohexan-1-ol
CID 11469076
(1R,4S,5R,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile
CID 125455079
(1R,4S,5S,8S)-5-hydroxybicyclo[6.1.0]nonane-4-carbonitrile
CID 125455078
cyclopentane-1,2-dicarbonitrile
CID 19807606
2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291712
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol
CID 130905013
trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile
CID 50989539
trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile
CID 94580475
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride?
The IUPAC name of bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride (CID 25004234) is bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride.
What is the SMILES notation for bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride?
The canonical SMILES for bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride is N#CC1CCCCC1O.N#CC1CCCCC1O.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride?
The InChIKey is MCJUUYBVGGARBD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H11NO.2ClH.Pt/c2*8-5-6-3-1-2-4-7(6)9;;;/h2*6-7,9H,1-4H2;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride?
bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride has a molecular weight of 516.33 g/mol, XLogP of -3.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride is sourced from PubChem (CID 25004234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).