cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate)

C16H32CdN2Se4 — CID 101413419

IUPACcadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate)
SMILESCCCCCCN(C)C(=[Se])[Se-].CCCCCCN(C)C(=[Se])[Se-].[Cd+2]
InChIInChI=1S/2C8H17NSe2.Cd/c2*1-3-4-5-6-7-9(2)8(10)11;/h2*3-7H2,1-2H3,(H,10,11);/q;;+2/p-2
InChIKeyAYQAXVCARHVCKQ-UHFFFAOYSA-L
MW680.70 g/mol
LogP1.84
Rot. Bonds12

About cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate)

cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate) (PubChem CID 101413419) has the molecular formula C16H32CdN2Se4 and a molecular weight of 680.70 g/mol. Its IUPAC name is cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate).

Molecular Properties

Compound Namecadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate)
PubChem CID101413419
Molecular FormulaC16H32CdN2Se4
Molecular Weight680.70 g/mol
Exact Mass685.83
IUPAC Namecadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate)
SMILESCCCCCCN(C)C(=[Se])[Se-].CCCCCCN(C)C(=[Se])[Se-].[Cd+2]
InChIInChI=1S/2C8H17NSe2.Cd/c2*1-3-4-5-6-7-9(2)8(10)11;/h2*3-7H2,1-2H3,(H,10,11);/q;;+2/p-2
InChIKeyAYQAXVCARHVCKQ-UHFFFAOYSA-L
XLogP1.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500680.70
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 15173799
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CID 10241584
ethane;N-methyl-N-octylacetamide
CID 142531459
N-hexyl-N-methylcarbamoyl chloride
CID 23509235
N-butyl-N-methylcarbamate
CID 23071400
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N,N-dimethylnonadecan-1-amine
CID 546994
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate)?
The IUPAC name of cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate) (CID 101413419) is cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate).
What is the SMILES notation for cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate)?
The canonical SMILES for cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate) is CCCCCCN(C)C(=[Se])[Se-].CCCCCCN(C)C(=[Se])[Se-].[Cd+2].
What is the InChIKey of cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate)?
The InChIKey is AYQAXVCARHVCKQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H17NSe2.Cd/c2*1-3-4-5-6-7-9(2)8(10)11;/h2*3-7H2,1-2H3,(H,10,11);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate)?
cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate) has a molecular weight of 680.70 g/mol, XLogP of 1.84, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(N-hexyl-N-methylcarbamodiselenoate) is sourced from PubChem (CID 101413419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).