hexyl-(2-methylpropoxy)-oxophosphanium

C10H22O2P+ — CID 88827543

IUPAChexyl-(2-methylpropoxy)-oxophosphanium
SMILESCCCCCC[P+](=O)OCC(C)C
InChIInChI=1S/C10H22O2P/c1-4-5-6-7-8-13(11)12-9-10(2)3/h10H,4-9H2,1-3H3/q+1
InChIKeyDBEWVIQVOSSQMO-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.98
Rot. Bonds8

About hexyl-(2-methylpropoxy)-oxophosphanium

hexyl-(2-methylpropoxy)-oxophosphanium (PubChem CID 88827543) has the molecular formula C10H22O2P+ and a molecular weight of 205.26 g/mol. Its IUPAC name is hexyl-(2-methylpropoxy)-oxophosphanium.

Molecular Properties

Compound Namehexyl-(2-methylpropoxy)-oxophosphanium
PubChem CID88827543
Molecular FormulaC10H22O2P+
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Namehexyl-(2-methylpropoxy)-oxophosphanium
SMILESCCCCCC[P+](=O)OCC(C)C
InChIInChI=1S/C10H22O2P/c1-4-5-6-7-8-13(11)12-9-10(2)3/h10H,4-9H2,1-3H3/q+1
InChIKeyDBEWVIQVOSSQMO-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethoxy-octyl-oxophosphanium
CID 14512429
neodymium;octoxy-octyl-oxophosphanium
CID 174731713
butyl-heptoxy-oxophosphanium
CID 22497580
2-[dodecyl(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 20977395
nonoxy-oxo-propylphosphanium
CID 174923561
3-aminopropyl-dodecoxy-oxophosphanium
CID 91097507
ethenoxy-octyl-oxophosphanium
CID 175403596
2-ethylhexoxy-[2-(octadecylamino)ethyl]-oxophosphanium
CID 174355767
heptoxy-oxo-propan-2-yloxyphosphanium
CID 175466874
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
di(octan-2-yloxy)-oxophosphanium;molybdenum
CID 162055001

Frequently Asked Questions

What is the IUPAC name of hexyl-(2-methylpropoxy)-oxophosphanium?
The IUPAC name of hexyl-(2-methylpropoxy)-oxophosphanium (CID 88827543) is hexyl-(2-methylpropoxy)-oxophosphanium.
What is the SMILES notation for hexyl-(2-methylpropoxy)-oxophosphanium?
The canonical SMILES for hexyl-(2-methylpropoxy)-oxophosphanium is CCCCCC[P+](=O)OCC(C)C.
What is the InChIKey of hexyl-(2-methylpropoxy)-oxophosphanium?
The InChIKey is DBEWVIQVOSSQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2P/c1-4-5-6-7-8-13(11)12-9-10(2)3/h10H,4-9H2,1-3H3/q+1.
What are the key properties of hexyl-(2-methylpropoxy)-oxophosphanium?
hexyl-(2-methylpropoxy)-oxophosphanium has a molecular weight of 205.26 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-(2-methylpropoxy)-oxophosphanium is sourced from PubChem (CID 88827543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).