di(icosoxy)-disulfidophosphanium

C40H82O2PS2- — CID 136913649

IUPACdi(icosoxy)-disulfidophosphanium
SMILESCCCCCCCCCCCCCCCCCCCCO[P+]([S-])([S-])OCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H83O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(44,45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,44,45)/p-1
InChIKeyKCKKITWBUVVXIF-UHFFFAOYSA-M
MW690.20 g/mol
LogP15.87
Rot. Bonds40

About di(icosoxy)-disulfidophosphanium

di(icosoxy)-disulfidophosphanium (PubChem CID 136913649) has the molecular formula C40H82O2PS2- and a molecular weight of 690.20 g/mol. Its IUPAC name is di(icosoxy)-disulfidophosphanium.

Molecular Properties

Compound Namedi(icosoxy)-disulfidophosphanium
PubChem CID136913649
Molecular FormulaC40H82O2PS2-
Molecular Weight690.20 g/mol
Exact Mass689.55
IUPAC Namedi(icosoxy)-disulfidophosphanium
SMILESCCCCCCCCCCCCCCCCCCCCO[P+]([S-])([S-])OCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H83O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(44,45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,44,45)/p-1
InChIKeyKCKKITWBUVVXIF-UHFFFAOYSA-M
XLogP15.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds40
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.20
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

hexoxy-octoxy-bis(sulfanyl)phosphanium
CID 166989108
tri(tridecoxy)-tridecylphosphanium
CID 175336508
1-(difluoromethoxy)decane
CID 14400535
ethyl-hexoxy-dihydroxyphosphanium
CID 170563061
decane;ruthenium
CID 160818595
CID 123245055
CID 123245055
octoxymethanediamine
CID 142625053
didodecoxymethylsilane
CID 172799979
1-pentan-3-yloxydecane
CID 173279604
icosoxymethanediol
CID 175975847
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of di(icosoxy)-disulfidophosphanium?
The IUPAC name of di(icosoxy)-disulfidophosphanium (CID 136913649) is di(icosoxy)-disulfidophosphanium.
What is the SMILES notation for di(icosoxy)-disulfidophosphanium?
The canonical SMILES for di(icosoxy)-disulfidophosphanium is CCCCCCCCCCCCCCCCCCCCO[P+]([S-])([S-])OCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of di(icosoxy)-disulfidophosphanium?
The InChIKey is KCKKITWBUVVXIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C40H83O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(44,45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,44,45)/p-1.
What are the key properties of di(icosoxy)-disulfidophosphanium?
di(icosoxy)-disulfidophosphanium has a molecular weight of 690.20 g/mol, XLogP of 15.87, 40 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(icosoxy)-disulfidophosphanium is sourced from PubChem (CID 136913649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).