di(tricosan-2-yl)phosphane;hydroiodide

C46H96IP — CID 129071952

IUPACdi(tricosan-2-yl)phosphane;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)PC(C)CCCCCCCCCCCCCCCCCCCCC.I
InChIInChI=1S/C46H95P.HI/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45(3)47-46(4)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h45-47H,5-44H2,1-4H3;1H
InChIKeyFEOGALIIPGYZKQ-UHFFFAOYSA-N
MW807.15 g/mol
LogP18.70
Rot. Bonds42

About di(tricosan-2-yl)phosphane;hydroiodide

di(tricosan-2-yl)phosphane;hydroiodide (PubChem CID 129071952) has the molecular formula C46H96IP and a molecular weight of 807.15 g/mol. Its IUPAC name is di(tricosan-2-yl)phosphane;hydroiodide.

Molecular Properties

Compound Namedi(tricosan-2-yl)phosphane;hydroiodide
PubChem CID129071952
Molecular FormulaC46H96IP
Molecular Weight807.15 g/mol
Exact Mass806.63
IUPAC Namedi(tricosan-2-yl)phosphane;hydroiodide
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)PC(C)CCCCCCCCCCCCCCCCCCCCC.I
InChIInChI=1S/C46H95P.HI/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45(3)47-46(4)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h45-47H,5-44H2,1-4H3;1H
InChIKeyFEOGALIIPGYZKQ-UHFFFAOYSA-N
XLogP18.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds42
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.15
LogP ≤ 518.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

henicosan-2-yl(iodo)phosphane
CID 19885667
bis(heptan-2-yl(octan-3-yl)phosphane);methyl(octan-3-yl)phosphane
CID 158660791
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031
11,12-dimethyloctacosane
CID 23345853
2-methyltetratriacontane
CID 14275207
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
6-methylheptacosane
CID 22223776

Frequently Asked Questions

What is the IUPAC name of di(tricosan-2-yl)phosphane;hydroiodide?
The IUPAC name of di(tricosan-2-yl)phosphane;hydroiodide (CID 129071952) is di(tricosan-2-yl)phosphane;hydroiodide.
What is the SMILES notation for di(tricosan-2-yl)phosphane;hydroiodide?
The canonical SMILES for di(tricosan-2-yl)phosphane;hydroiodide is CCCCCCCCCCCCCCCCCCCCCC(C)PC(C)CCCCCCCCCCCCCCCCCCCCC.I.
What is the InChIKey of di(tricosan-2-yl)phosphane;hydroiodide?
The InChIKey is FEOGALIIPGYZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H95P.HI/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45(3)47-46(4)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h45-47H,5-44H2,1-4H3;1H.
What are the key properties of di(tricosan-2-yl)phosphane;hydroiodide?
di(tricosan-2-yl)phosphane;hydroiodide has a molecular weight of 807.15 g/mol, XLogP of 18.70, 42 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(tricosan-2-yl)phosphane;hydroiodide is sourced from PubChem (CID 129071952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).