dibutoxy(oxo)phosphanium

C8H18O3P+ — CID 6327349

IUPACdibutoxy(oxo)phosphanium
SMILESCCCCO[P+](=O)OCCCC
InChIInChI=1S/C8H18O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3/q+1
InChIKeyOSPSWZSRKYCQPF-UHFFFAOYSA-N
MW193.20 g/mol
LogP3.28
Rot. Bonds8

About dibutoxy(oxo)phosphanium

dibutoxy(oxo)phosphanium (PubChem CID 6327349) has the molecular formula C8H18O3P+ and a molecular weight of 193.20 g/mol. Its IUPAC name is dibutoxy(oxo)phosphanium.

Molecular Properties

Compound Namedibutoxy(oxo)phosphanium
PubChem CID6327349
Molecular FormulaC8H18O3P+
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Namedibutoxy(oxo)phosphanium
SMILESCCCCO[P+](=O)OCCCC
InChIInChI=1S/C8H18O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3/q+1
InChIKeyOSPSWZSRKYCQPF-UHFFFAOYSA-N
XLogP3.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 53.28
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

Tributyl Phosphate
CID 31357
Triisobutyl phosphate
CID 31355
Dibutyl phosphate
CID 7881
Dibutyl butylphosphonate
CID 6539
Tributyl phosphite
CID 7623
Diphosphoric acid, tetrabutyl ester
CID 73861
Tripentyl phosphate
CID 75665
Tri-O-butyl phosphorothioate
CID 94884
Triisopropyl phosphate
CID 68188
Dibutyl chloromethylphosphonate
CID 76493
Phosphoric acid, dipentyl ester
CID 76589
Phosphonic acid, monobutyl ester
CID 6327918

Frequently Asked Questions

What is the IUPAC name of dibutoxy(oxo)phosphanium?
The IUPAC name of dibutoxy(oxo)phosphanium (CID 6327349) is dibutoxy(oxo)phosphanium.
What is the SMILES notation for dibutoxy(oxo)phosphanium?
The canonical SMILES for dibutoxy(oxo)phosphanium is CCCCO[P+](=O)OCCCC.
What is the InChIKey of dibutoxy(oxo)phosphanium?
The InChIKey is OSPSWZSRKYCQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3/q+1.
What are the key properties of dibutoxy(oxo)phosphanium?
dibutoxy(oxo)phosphanium has a molecular weight of 193.20 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy(oxo)phosphanium is sourced from PubChem (CID 6327349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).