dimethoxy(oxo)phosphanium;octadec-1-ene

C20H42O3P+ — CID 19391966

IUPACdimethoxy(oxo)phosphanium;octadec-1-ene
SMILESC=CCCCCCCCCCCCCCCCC.CO[P+](=O)OC
InChIInChI=1S/C18H36.C2H6O3P/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-4-6(3)5-2/h3H,1,4-18H2,2H3;1-2H3/q;+1
InChIKeyAYKGJMVUHPSFHN-UHFFFAOYSA-N
MW361.53 g/mol
LogP7.98
Rot. Bonds17

About dimethoxy(oxo)phosphanium;octadec-1-ene

dimethoxy(oxo)phosphanium;octadec-1-ene (PubChem CID 19391966) has the molecular formula C20H42O3P+ and a molecular weight of 361.53 g/mol. Its IUPAC name is dimethoxy(oxo)phosphanium;octadec-1-ene.

Molecular Properties

Compound Namedimethoxy(oxo)phosphanium;octadec-1-ene
PubChem CID19391966
Molecular FormulaC20H42O3P+
Molecular Weight361.53 g/mol
Exact Mass361.29
IUPAC Namedimethoxy(oxo)phosphanium;octadec-1-ene
SMILESC=CCCCCCCCCCCCCCCCC.CO[P+](=O)OC
InChIInChI=1S/C18H36.C2H6O3P/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-4-6(3)5-2/h3H,1,4-18H2,2H3;1-2H3/q;+1
InChIKeyAYKGJMVUHPSFHN-UHFFFAOYSA-N
XLogP7.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
triaconta-1,19-diene
CID 54007897
pentacosa-1,16-diene
CID 57082437
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546

Frequently Asked Questions

What is the IUPAC name of dimethoxy(oxo)phosphanium;octadec-1-ene?
The IUPAC name of dimethoxy(oxo)phosphanium;octadec-1-ene (CID 19391966) is dimethoxy(oxo)phosphanium;octadec-1-ene.
What is the SMILES notation for dimethoxy(oxo)phosphanium;octadec-1-ene?
The canonical SMILES for dimethoxy(oxo)phosphanium;octadec-1-ene is C=CCCCCCCCCCCCCCCCC.CO[P+](=O)OC.
What is the InChIKey of dimethoxy(oxo)phosphanium;octadec-1-ene?
The InChIKey is AYKGJMVUHPSFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36.C2H6O3P/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-4-6(3)5-2/h3H,1,4-18H2,2H3;1-2H3/q;+1.
What are the key properties of dimethoxy(oxo)phosphanium;octadec-1-ene?
dimethoxy(oxo)phosphanium;octadec-1-ene has a molecular weight of 361.53 g/mol, XLogP of 7.98, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(oxo)phosphanium;octadec-1-ene is sourced from PubChem (CID 19391966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).