ethoxy-oxo-pent-4-enylphosphanium

C7H14O2P+ — CID 56996522

IUPACethoxy-oxo-pent-4-enylphosphanium
SMILESC=CCCC[P+](=O)OCC
InChIInChI=1S/C7H14O2P/c1-3-5-6-7-10(8)9-4-2/h3H,1,4-7H2,2H3/q+1
InChIKeyPXINQZSLORIMJY-UHFFFAOYSA-N
MW161.16 g/mol
LogP2.73
Rot. Bonds6

About ethoxy-oxo-pent-4-enylphosphanium

ethoxy-oxo-pent-4-enylphosphanium (PubChem CID 56996522) has the molecular formula C7H14O2P+ and a molecular weight of 161.16 g/mol. Its IUPAC name is ethoxy-oxo-pent-4-enylphosphanium.

Molecular Properties

Compound Nameethoxy-oxo-pent-4-enylphosphanium
PubChem CID56996522
Molecular FormulaC7H14O2P+
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Nameethoxy-oxo-pent-4-enylphosphanium
SMILESC=CCCC[P+](=O)OCC
InChIInChI=1S/C7H14O2P/c1-3-5-6-7-10(8)9-4-2/h3H,1,4-7H2,2H3/q+1
InChIKeyPXINQZSLORIMJY-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 52.73
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

hept-6-enyl-oxo-propoxyphosphanium
CID 176901774
buta-1,3-diene;diethoxy(oxo)phosphanium
CID 88766369
dimethoxy(oxo)phosphanium;octadec-1-ene
CID 19391966
ethene;octa-1,7-diene;prop-1-ene
CID 54599064
ethenoxy-octyl-oxophosphanium
CID 175403596
deca-1,9-diene;ethyl carbamate
CID 158614970
hex-1-ene;zinc
CID 174554611
5-O-pent-4-enyl 1-O-propyl pentanedioate
CID 91706414
ethanamine;hex-1-ene;hydrochloride
CID 160582702
but-1-ene;hex-1-ene;prop-1-ene
CID 86759030
ethyl hept-6-enoate
CID 560341
triethoxy-[(1E)-octa-1,7-dienyl]silane
CID 22726340

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-pent-4-enylphosphanium?
The IUPAC name of ethoxy-oxo-pent-4-enylphosphanium (CID 56996522) is ethoxy-oxo-pent-4-enylphosphanium.
What is the SMILES notation for ethoxy-oxo-pent-4-enylphosphanium?
The canonical SMILES for ethoxy-oxo-pent-4-enylphosphanium is C=CCCC[P+](=O)OCC.
What is the InChIKey of ethoxy-oxo-pent-4-enylphosphanium?
The InChIKey is PXINQZSLORIMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2P/c1-3-5-6-7-10(8)9-4-2/h3H,1,4-7H2,2H3/q+1.
What are the key properties of ethoxy-oxo-pent-4-enylphosphanium?
ethoxy-oxo-pent-4-enylphosphanium has a molecular weight of 161.16 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-pent-4-enylphosphanium is sourced from PubChem (CID 56996522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).