dioctoxyphosphoryloxy-hydroxy-oxophosphanium

C16H35O6P2+ — CID 102018743

IUPACdioctoxyphosphoryloxy-hydroxy-oxophosphanium
SMILESCCCCCCCCOP(=O)(OCCCCCCCC)O[P+](=O)O
InChIInChI=1S/C16H34O6P2/c1-3-5-7-9-11-13-15-20-24(19,22-23(17)18)21-16-14-12-10-8-6-4-2/h3-16H2,1-2H3/p+1
InChIKeyRJHDMFGIJKVFFS-UHFFFAOYSA-O
MW385.40 g/mol
LogP6.51
Rot. Bonds18

About dioctoxyphosphoryloxy-hydroxy-oxophosphanium

dioctoxyphosphoryloxy-hydroxy-oxophosphanium (PubChem CID 102018743) has the molecular formula C16H35O6P2+ and a molecular weight of 385.40 g/mol. Its IUPAC name is dioctoxyphosphoryloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Namedioctoxyphosphoryloxy-hydroxy-oxophosphanium
PubChem CID102018743
Molecular FormulaC16H35O6P2+
Molecular Weight385.40 g/mol
Exact Mass385.19
IUPAC Namedioctoxyphosphoryloxy-hydroxy-oxophosphanium
SMILESCCCCCCCCOP(=O)(OCCCCCCCC)O[P+](=O)O
InChIInChI=1S/C16H34O6P2/c1-3-5-7-9-11-13-15-20-24(19,22-23(17)18)21-16-14-12-10-8-6-4-2/h3-16H2,1-2H3/p+1
InChIKeyRJHDMFGIJKVFFS-UHFFFAOYSA-O
XLogP6.51
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
diheptyl propyl phosphate
CID 22497721
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
alumane;trioctyl phosphate
CID 175071420
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
CID 57354140
CID 57354140
2-hydroxyethyl ditridecyl phosphate
CID 86141691
dodecyl hydroxy propyl phosphate
CID 21291111
dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate
CID 118510189

Frequently Asked Questions

What is the IUPAC name of dioctoxyphosphoryloxy-hydroxy-oxophosphanium?
The IUPAC name of dioctoxyphosphoryloxy-hydroxy-oxophosphanium (CID 102018743) is dioctoxyphosphoryloxy-hydroxy-oxophosphanium.
What is the SMILES notation for dioctoxyphosphoryloxy-hydroxy-oxophosphanium?
The canonical SMILES for dioctoxyphosphoryloxy-hydroxy-oxophosphanium is CCCCCCCCOP(=O)(OCCCCCCCC)O[P+](=O)O.
What is the InChIKey of dioctoxyphosphoryloxy-hydroxy-oxophosphanium?
The InChIKey is RJHDMFGIJKVFFS-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H34O6P2/c1-3-5-7-9-11-13-15-20-24(19,22-23(17)18)21-16-14-12-10-8-6-4-2/h3-16H2,1-2H3/p+1.
What are the key properties of dioctoxyphosphoryloxy-hydroxy-oxophosphanium?
dioctoxyphosphoryloxy-hydroxy-oxophosphanium has a molecular weight of 385.40 g/mol, XLogP of 6.51, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioctoxyphosphoryloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 102018743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).