di(cyclooctyloxy)-oxophosphanium

C16H30O3P+ — CID 164745910

IUPACdi(cyclooctyloxy)-oxophosphanium
SMILESO=[P+](OC1CCCCCCC1)OC1CCCCCCC1
InChIInChI=1S/C16H30O3P/c17-20(18-15-11-7-3-1-4-8-12-15)19-16-13-9-5-2-6-10-14-16/h15-16H,1-14H2/q+1
InChIKeyNLAHQMANRZSTLG-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.90
Rot. Bonds4

About di(cyclooctyloxy)-oxophosphanium

di(cyclooctyloxy)-oxophosphanium (PubChem CID 164745910) has the molecular formula C16H30O3P+ and a molecular weight of 301.39 g/mol. Its IUPAC name is di(cyclooctyloxy)-oxophosphanium.

Molecular Properties

Compound Namedi(cyclooctyloxy)-oxophosphanium
PubChem CID164745910
Molecular FormulaC16H30O3P+
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Namedi(cyclooctyloxy)-oxophosphanium
SMILESO=[P+](OC1CCCCCCC1)OC1CCCCCCC1
InChIInChI=1S/C16H30O3P/c17-20(18-15-11-7-3-1-4-8-12-15)19-16-13-9-5-2-6-10-14-16/h15-16H,1-14H2/q+1
InChIKeyNLAHQMANRZSTLG-UHFFFAOYSA-N
XLogP5.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze di(cyclooctyloxy)-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyloxy-[2-[[cyclohexyloxy(oxo)phosphaniumyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]-oxophosphanium
CID 87086368
(cyclohexylamino)-cyclohexyloxy-oxophosphanium
CID 163740962
phosphorosooxycyclohexane
CID 18717017
1-cyclohexylethenyl-cyclohexyloxy-oxophosphanium
CID 66797035
cyclohexyloxyarsinic acid
CID 154070116
molecular hydrogen;phosphorosooxycyclohexane
CID 159066743
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
cyclononyl formate
CID 87065625
formaldehyde;methoxycyclohexane
CID 142252216
dicyclohexyl sulfite
CID 557841
dicyclononyl carbonate
CID 139618210

Frequently Asked Questions

What is the IUPAC name of di(cyclooctyloxy)-oxophosphanium?
The IUPAC name of di(cyclooctyloxy)-oxophosphanium (CID 164745910) is di(cyclooctyloxy)-oxophosphanium.
What is the SMILES notation for di(cyclooctyloxy)-oxophosphanium?
The canonical SMILES for di(cyclooctyloxy)-oxophosphanium is O=[P+](OC1CCCCCCC1)OC1CCCCCCC1.
What is the InChIKey of di(cyclooctyloxy)-oxophosphanium?
The InChIKey is NLAHQMANRZSTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3P/c17-20(18-15-11-7-3-1-4-8-12-15)19-16-13-9-5-2-6-10-14-16/h15-16H,1-14H2/q+1.
What are the key properties of di(cyclooctyloxy)-oxophosphanium?
di(cyclooctyloxy)-oxophosphanium has a molecular weight of 301.39 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclooctyloxy)-oxophosphanium is sourced from PubChem (CID 164745910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).