tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone

C16H16Cl12Ni4O16Sn2 — CID 153457109

IUPACtetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone
SMILESCl[Ni]Cl.Cl[Ni]Cl.Cl[Ni]Cl.Cl[Ni]Cl.Cl[Sn]Cl.Cl[Sn]Cl.O=C1OCCOC(=O)C(=O)OCCOC(=O)C(=O)OCCOC(=O)C(=O)OCCOC1=O
InChIInChI=1S/C16H16O16.12ClH.4Ni.2Sn/c17-9-10(18)27-3-4-29-13(21)14(22)31-7-8-32-16(24)15(23)30-6-5-28-12(20)11(19)26-2-1-25-9;;;;;;;;;;;;;;;;;;/h1-8H2;12*1H;;;;;;/q;;;;;;;;;;;;;6*+2/p-12
InChIKeyLOEKMOKQOLZSTA-UHFFFAOYSA-B
MW1361.92 g/mol
LogP3.85
Rot. Bonds

About tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone

tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone (PubChem CID 153457109) has the molecular formula C16H16Cl12Ni4O16Sn2 and a molecular weight of 1361.92 g/mol. Its IUPAC name is tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone.

Molecular Properties

Compound Nametetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone
PubChem CID153457109
Molecular FormulaC16H16Cl12Ni4O16Sn2
Molecular Weight1361.92 g/mol
Exact Mass1355.22
IUPAC Nametetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone
SMILESCl[Ni]Cl.Cl[Ni]Cl.Cl[Ni]Cl.Cl[Ni]Cl.Cl[Sn]Cl.Cl[Sn]Cl.O=C1OCCOC(=O)C(=O)OCCOC(=O)C(=O)OCCOC(=O)C(=O)OCCOC1=O
InChIInChI=1S/C16H16O16.12ClH.4Ni.2Sn/c17-9-10(18)27-3-4-29-13(21)14(22)31-7-8-32-16(24)15(23)30-6-5-28-12(20)11(19)26-2-1-25-9;;;;;;;;;;;;;;;;;;/h1-8H2;12*1H;;;;;;/q;;;;;;;;;;;;;6*+2/p-12
InChIKeyLOEKMOKQOLZSTA-UHFFFAOYSA-B
XLogP3.85
TPSA210.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001361.92
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone)
CID 162299776
1,4-dioxane;1,4-dioxane-2,3-dione
CID 159785503
3,6,13,16,23,26,33,36-octaoxapentacyclo[36.2.2.28,11.218,21.228,31]octatetraconta-1(41),8,10,18,20,28(44),29,31(43),38(42),39,45,47-dodecaene-2,7,12,17,22,27,32,37-octone
CID 15089685
3,6,13,16,23,26-hexaoxatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),19,21(33),28(32),29,35-nonaene-2,7,12,17,22,27-hexone
CID 15089684
(6Z)-6-chloro-2,3-dihydro-1,4-dioxocine-5,8-dione
CID 175218193
7,10-dioxatricyclo[10.2.2.22,5]octadeca-1(15),2(18),3,5(17),12(16),13-hexaene-6,11-dione
CID 67910781
1,3-dioxolan-2-one
CID 7303
cyclohexane;3,6-dioxabicyclo[6.2.2]dodeca-1(10),8,11-triene-2,7-dione
CID 66700297
3,6,9,12-tetraoxabicyclo[12.2.2]octadeca-1(16),14,17-triene-2,13-dione
CID 13353178
dichloronickel;2-N,3-N-diphenyl-1,4-dioxane-2,3-diimine
CID 140654299
3-(sulfanylidenemethylidene)oxolan-2-one
CID 175776801
1,3-dioxolan-2-one;pyrrolidine-2,5-dione
CID 66849817

Frequently Asked Questions

What is the IUPAC name of tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone?
The IUPAC name of tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone (CID 153457109) is tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone.
What is the SMILES notation for tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone?
The canonical SMILES for tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone is Cl[Ni]Cl.Cl[Ni]Cl.Cl[Ni]Cl.Cl[Ni]Cl.Cl[Sn]Cl.Cl[Sn]Cl.O=C1OCCOC(=O)C(=O)OCCOC(=O)C(=O)OCCOC(=O)C(=O)OCCOC1=O.
What is the InChIKey of tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone?
The InChIKey is LOEKMOKQOLZSTA-UHFFFAOYSA-B. The full InChI is InChI=1S/C16H16O16.12ClH.4Ni.2Sn/c17-9-10(18)27-3-4-29-13(21)14(22)31-7-8-32-16(24)15(23)30-6-5-28-12(20)11(19)26-2-1-25-9;;;;;;;;;;;;;;;;;;/h1-8H2;12*1H;;;;;;/q;;;;;;;;;;;;;6*+2/p-12.
What are the key properties of tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone?
tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone has a molecular weight of 1361.92 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dichloronickel);bis(dichlorotin);1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,8,9,14,15,20,21-octone is sourced from PubChem (CID 153457109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).