butyl-heptoxy-oxophosphanium

C11H24O2P+ — CID 22497580

IUPACbutyl-heptoxy-oxophosphanium
SMILESCCCCCCCO[P+](=O)CCCC
InChIInChI=1S/C11H24O2P/c1-3-5-7-8-9-10-13-14(12)11-6-4-2/h3-11H2,1-2H3/q+1
InChIKeyNNRSDEJVVYXJGG-UHFFFAOYSA-N
MW219.28 g/mol
LogP4.52
Rot. Bonds10

About butyl-heptoxy-oxophosphanium

butyl-heptoxy-oxophosphanium (PubChem CID 22497580) has the molecular formula C11H24O2P+ and a molecular weight of 219.28 g/mol. Its IUPAC name is butyl-heptoxy-oxophosphanium.

Molecular Properties

Compound Namebutyl-heptoxy-oxophosphanium
PubChem CID22497580
Molecular FormulaC11H24O2P+
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namebutyl-heptoxy-oxophosphanium
SMILESCCCCCCCO[P+](=O)CCCC
InChIInChI=1S/C11H24O2P/c1-3-5-7-8-9-10-13-14(12)11-6-4-2/h3-11H2,1-2H3/q+1
InChIKeyNNRSDEJVVYXJGG-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 54.52
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

neodymium;octoxy-octyl-oxophosphanium
CID 174731713
nonoxy-oxo-propylphosphanium
CID 174923561
3-aminopropyl-dodecoxy-oxophosphanium
CID 91097507
ethoxy-octyl-oxophosphanium
CID 14512429
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dodecoxy-octoxy-oxophosphanium
CID 154187352
dioctadecoxy(oxo)phosphanium
CID 6327799
2-[dodecyl(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 20977395
dioctoxy(oxo)phosphanium;zinc
CID 175522796
butoxy-dodecoxy-oxophosphanium
CID 175103299
bis(dodecoxy-oxido-oxophosphanium);iron(2+)
CID 87602903

Frequently Asked Questions

What is the IUPAC name of butyl-heptoxy-oxophosphanium?
The IUPAC name of butyl-heptoxy-oxophosphanium (CID 22497580) is butyl-heptoxy-oxophosphanium.
What is the SMILES notation for butyl-heptoxy-oxophosphanium?
The canonical SMILES for butyl-heptoxy-oxophosphanium is CCCCCCCO[P+](=O)CCCC.
What is the InChIKey of butyl-heptoxy-oxophosphanium?
The InChIKey is NNRSDEJVVYXJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2P/c1-3-5-7-8-9-10-13-14(12)11-6-4-2/h3-11H2,1-2H3/q+1.
What are the key properties of butyl-heptoxy-oxophosphanium?
butyl-heptoxy-oxophosphanium has a molecular weight of 219.28 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-heptoxy-oxophosphanium is sourced from PubChem (CID 22497580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).