copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide

C48H82CuIO6P2 — CID 173453618

IUPACcopper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide
SMILESCCCCCCCCCCCCCCCCCCOP1Oc2ccccc2O1.CCCCCCCCCCCCCCCCCCOP1Oc2ccccc2O1.[Cu+].[I-]
InChIInChI=1S/2C24H41O3P.Cu.HI/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-26-23-20-17-18-21-24(23)27-28;;/h2*17-18,20-21H,2-16,19,22H2,1H3;;1H/q;;+1;/p-1
InChIKeyKHUBPLYQRZDZJO-UHFFFAOYSA-M
MW1007.58 g/mol
LogP14.93
Rot. Bonds36

About copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide

copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide (PubChem CID 173453618) has the molecular formula C48H82CuIO6P2 and a molecular weight of 1007.58 g/mol. Its IUPAC name is copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide.

Molecular Properties

Compound Namecopper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide
PubChem CID173453618
Molecular FormulaC48H82CuIO6P2
Molecular Weight1007.58 g/mol
Exact Mass1006.39
IUPAC Namecopper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide
SMILESCCCCCCCCCCCCCCCCCCOP1Oc2ccccc2O1.CCCCCCCCCCCCCCCCCCOP1Oc2ccccc2O1.[Cu+].[I-]
InChIInChI=1S/2C24H41O3P.Cu.HI/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-26-23-20-17-18-21-24(23)27-28;;/h2*17-18,20-21H,2-16,19,22H2,1H3;;1H/q;;+1;/p-1
InChIKeyKHUBPLYQRZDZJO-UHFFFAOYSA-M
XLogP14.93
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds36
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.58
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

25,29,33,37-tetraheptyl-3,9,15,21-tetraoctoxy-2,4,8,10,14,16,20,22-octaoxa-3,9,15,21-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene
CID 4235475
4-octadecoxy-1,3,2,4-dioxatelluraphosphetane
CID 153406163
dioctyl 1,3-benzodioxole-2,2-dicarboxylate
CID 139836518
2-hex-5-ynoxy-1,3,2-benzodioxaphosphinin-4-one
CID 121356684
pentoxybenzene;undecane
CID 174778179
9,10-dioctoxyanthracene
CID 21304201
2-tridecoxyphenol
CID 67178320
1,3-dihexadecoxybenzene
CID 12686834
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
dihexadecoxy(phenyl)silane
CID 173048581
1,3,7,9-tetratert-butyl-11-nonoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 18358505
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593

Frequently Asked Questions

What is the IUPAC name of copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide?
The IUPAC name of copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide (CID 173453618) is copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide.
What is the SMILES notation for copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide?
The canonical SMILES for copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide is CCCCCCCCCCCCCCCCCCOP1Oc2ccccc2O1.CCCCCCCCCCCCCCCCCCOP1Oc2ccccc2O1.[Cu+].[I-].
What is the InChIKey of copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide?
The InChIKey is KHUBPLYQRZDZJO-UHFFFAOYSA-M. The full InChI is InChI=1S/2C24H41O3P.Cu.HI/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-26-23-20-17-18-21-24(23)27-28;;/h2*17-18,20-21H,2-16,19,22H2,1H3;;1H/q;;+1;/p-1.
What are the key properties of copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide?
copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide has a molecular weight of 1007.58 g/mol, XLogP of 14.93, 36 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis(2-octadecoxy-1,3,2-benzodioxaphosphole);iodide is sourced from PubChem (CID 173453618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).