dihexoxy(oxo)phosphanium

C12H26O3P+ — CID 6328376

IUPACdihexoxy(oxo)phosphanium
SMILESCCCCCCO[P+](=O)OCCCCCC
InChIInChI=1S/C12H26O3P/c1-3-5-7-9-11-14-16(13)15-12-10-8-6-4-2/h3-12H2,1-2H3/q+1
InChIKeySSTHNOXIGJRLAF-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.84
Rot. Bonds12

About dihexoxy(oxo)phosphanium

dihexoxy(oxo)phosphanium (PubChem CID 6328376) has the molecular formula C12H26O3P+ and a molecular weight of 249.31 g/mol. Its IUPAC name is dihexoxy(oxo)phosphanium.

Molecular Properties

Compound Namedihexoxy(oxo)phosphanium
PubChem CID6328376
Molecular FormulaC12H26O3P+
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Namedihexoxy(oxo)phosphanium
SMILESCCCCCCO[P+](=O)OCCCCCC
InChIInChI=1S/C12H26O3P/c1-3-5-7-9-11-14-16(13)15-12-10-8-6-4-2/h3-12H2,1-2H3/q+1
InChIKeySSTHNOXIGJRLAF-UHFFFAOYSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Dibutyl hydrogen phosphite
CID 6327349
Dodecylphosphate
CID 1550836
Phosphoric acid, trihexyl ester
CID 75666
Tripentyl phosphate
CID 75665
Phosphoric acid, dipentyl ester
CID 76589
Phosphoric acid, octyl ester
CID 21896147
Hexyl dihydrogen phosphate
CID 19787
Phosphoric acid, diethyl pentyl ester
CID 29998
Ethyl octyl phosphate
CID 209698
Dihexyl phosphate
CID 77505
Phosphorous acid, trihexyl ester
CID 80190
O,O-Dihexyl dithiophosphate
CID 18680

Frequently Asked Questions

What is the IUPAC name of dihexoxy(oxo)phosphanium?
The IUPAC name of dihexoxy(oxo)phosphanium (CID 6328376) is dihexoxy(oxo)phosphanium.
What is the SMILES notation for dihexoxy(oxo)phosphanium?
The canonical SMILES for dihexoxy(oxo)phosphanium is CCCCCCO[P+](=O)OCCCCCC.
What is the InChIKey of dihexoxy(oxo)phosphanium?
The InChIKey is SSTHNOXIGJRLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3P/c1-3-5-7-9-11-14-16(13)15-12-10-8-6-4-2/h3-12H2,1-2H3/q+1.
What are the key properties of dihexoxy(oxo)phosphanium?
dihexoxy(oxo)phosphanium has a molecular weight of 249.31 g/mol, XLogP of 4.84, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihexoxy(oxo)phosphanium is sourced from PubChem (CID 6328376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).