10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane

C52H69I2O2P — CID 158234257

IUPAC10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane
SMILESICCCCCCCCCCOCc1ccccc1.IP(CCCCCCCCCCOCc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H42IOP.C17H27IO/c36-38(33-23-13-8-14-24-33,34-25-15-9-16-26-34,35-27-17-10-18-28-35)30-20-6-4-2-1-3-5-19-29-37-31-32-21-11-7-12-22-32;18-14-10-5-3-1-2-4-6-11-15-19-16-17-12-8-7-9-13-17/h7-18,21-28H,1-6,19-20,29-31H2;7-9,12-13H,1-6,10-11,14-16H2
InChIKeyGETNTQIDBWZXNH-UHFFFAOYSA-N
MW1010.90 g/mol
LogP14.96
Rot. Bonds28

About 10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane

10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane (PubChem CID 158234257) has the molecular formula C52H69I2O2P and a molecular weight of 1010.90 g/mol. Its IUPAC name is 10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane.

Molecular Properties

Compound Name10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane
PubChem CID158234257
Molecular FormulaC52H69I2O2P
Molecular Weight1010.90 g/mol
Exact Mass1010.31
IUPAC Name10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane
SMILESICCCCCCCCCCOCc1ccccc1.IP(CCCCCCCCCCOCc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H42IOP.C17H27IO/c36-38(33-23-13-8-14-24-33,34-25-15-9-16-26-34,35-27-17-10-18-28-35)30-20-6-4-2-1-3-5-19-29-37-31-32-21-11-7-12-22-32;18-14-10-5-3-1-2-4-6-11-15-19-16-17-12-8-7-9-13-17/h7-18,21-28H,1-6,19-20,29-31H2;7-9,12-13H,1-6,10-11,14-16H2
InChIKeyGETNTQIDBWZXNH-UHFFFAOYSA-N
XLogP14.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.90
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-iodoethoxymethylbenzene
CID 10355314
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
15-bromopentadecoxymethylbenzene
CID 11338468
triphenyl(12-phenylmethoxydodecyl)phosphanium
CID 11061139
azane;hexoxymethylbenzene
CID 174805489
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
tris(8-phenylmethoxyoctyl)borane
CID 102473578
triphenyl(6-phenylmethoxyhexyl)phosphanium bromide
CID 134481593

Frequently Asked Questions

What is the IUPAC name of 10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane?
The IUPAC name of 10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane (CID 158234257) is 10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane.
What is the SMILES notation for 10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane?
The canonical SMILES for 10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane is ICCCCCCCCCCOCc1ccccc1.IP(CCCCCCCCCCOCc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane?
The InChIKey is GETNTQIDBWZXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42IOP.C17H27IO/c36-38(33-23-13-8-14-24-33,34-25-15-9-16-26-34,35-27-17-10-18-28-35)30-20-6-4-2-1-3-5-19-29-37-31-32-21-11-7-12-22-32;18-14-10-5-3-1-2-4-6-11-15-19-16-17-12-8-7-9-13-17/h7-18,21-28H,1-6,19-20,29-31H2;7-9,12-13H,1-6,10-11,14-16H2.
What are the key properties of 10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane?
10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane has a molecular weight of 1010.90 g/mol, XLogP of 14.96, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane is sourced from PubChem (CID 158234257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).