hept-6-enyl-oxo-propoxyphosphanium

C10H20O2P+ — CID 176901774

IUPAChept-6-enyl-oxo-propoxyphosphanium
SMILESC=CCCCCC[P+](=O)OCCC
InChIInChI=1S/C10H20O2P/c1-3-5-6-7-8-10-13(11)12-9-4-2/h3H,1,4-10H2,2H3/q+1
InChIKeyNMOFOIPTJSVKBU-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.90
Rot. Bonds9

About hept-6-enyl-oxo-propoxyphosphanium

hept-6-enyl-oxo-propoxyphosphanium (PubChem CID 176901774) has the molecular formula C10H20O2P+ and a molecular weight of 203.24 g/mol. Its IUPAC name is hept-6-enyl-oxo-propoxyphosphanium.

Molecular Properties

Compound Namehept-6-enyl-oxo-propoxyphosphanium
PubChem CID176901774
Molecular FormulaC10H20O2P+
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namehept-6-enyl-oxo-propoxyphosphanium
SMILESC=CCCCCC[P+](=O)OCCC
InChIInChI=1S/C10H20O2P/c1-3-5-6-7-8-10-13(11)12-9-4-2/h3H,1,4-10H2,2H3/q+1
InChIKeyNMOFOIPTJSVKBU-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-oxo-pent-4-enylphosphanium
CID 56996522
neodymium;octoxy-octyl-oxophosphanium
CID 174731713
butyl-heptoxy-oxophosphanium
CID 22497580
dimethoxy(oxo)phosphanium;octadec-1-ene
CID 19391966
potassium;hydride;octadec-1-ene
CID 175063573
magnesium;hydride;oct-1-ene
CID 174305748
octadec-1-ene;tetradec-1-ene
CID 158470925
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706

Frequently Asked Questions

What is the IUPAC name of hept-6-enyl-oxo-propoxyphosphanium?
The IUPAC name of hept-6-enyl-oxo-propoxyphosphanium (CID 176901774) is hept-6-enyl-oxo-propoxyphosphanium.
What is the SMILES notation for hept-6-enyl-oxo-propoxyphosphanium?
The canonical SMILES for hept-6-enyl-oxo-propoxyphosphanium is C=CCCCCC[P+](=O)OCCC.
What is the InChIKey of hept-6-enyl-oxo-propoxyphosphanium?
The InChIKey is NMOFOIPTJSVKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2P/c1-3-5-6-7-8-10-13(11)12-9-4-2/h3H,1,4-10H2,2H3/q+1.
What are the key properties of hept-6-enyl-oxo-propoxyphosphanium?
hept-6-enyl-oxo-propoxyphosphanium has a molecular weight of 203.24 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-enyl-oxo-propoxyphosphanium is sourced from PubChem (CID 176901774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).