ethyl(triphenyl)phosphanium;hydrogen carbonate

C21H21O3P — CID 18951703

IUPACethyl(triphenyl)phosphanium;hydrogen carbonate
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C([O-])O
InChIInChI=1S/C20H20P.CH2O3/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;2-1(3)4/h3-17H,2H2,1H3;(H2,2,3,4)/q+1;/p-1
InChIKeyJDKXGAYKIYBQQO-UHFFFAOYSA-M
MW352.37 g/mol
LogP2.89
Rot. Bonds4

About ethyl(triphenyl)phosphanium;hydrogen carbonate

ethyl(triphenyl)phosphanium;hydrogen carbonate (PubChem CID 18951703) has the molecular formula C21H21O3P and a molecular weight of 352.37 g/mol. Its IUPAC name is ethyl(triphenyl)phosphanium;hydrogen carbonate.

Molecular Properties

Compound Nameethyl(triphenyl)phosphanium;hydrogen carbonate
PubChem CID18951703
Molecular FormulaC21H21O3P
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Nameethyl(triphenyl)phosphanium;hydrogen carbonate
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C([O-])O
InChIInChI=1S/C20H20P.CH2O3/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;2-1(3)4/h3-17H,2H2,1H3;(H2,2,3,4)/q+1;/p-1
InChIKeyJDKXGAYKIYBQQO-UHFFFAOYSA-M
XLogP2.89
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fentin acetate
CID 16682804
Methyltriphenyliphosphonium bromide
CID 74505
Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester
CID 17453
Triphenylplumbyl acetate
CID 16682953
Allyltriphenylphosphonium bromide
CID 197740
Butyltriphenylphosphonium bromide
CID 159628
1-(Triphenylphosphoranylidene)acetone
CID 15038
Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester
CID 70670
(Methoxymethyl)triphenylphosphonium chloride
CID 2723799
Ethyl 2-(triphenylphosphoranylidene)propionate
CID 79792
Triphenylmethylphosphonium Bromide
CID 621706
3-(Triphenylphosphoranyl)propanoic acid
CID 61357

Frequently Asked Questions

What is the IUPAC name of ethyl(triphenyl)phosphanium;hydrogen carbonate?
The IUPAC name of ethyl(triphenyl)phosphanium;hydrogen carbonate (CID 18951703) is ethyl(triphenyl)phosphanium;hydrogen carbonate.
What is the SMILES notation for ethyl(triphenyl)phosphanium;hydrogen carbonate?
The canonical SMILES for ethyl(triphenyl)phosphanium;hydrogen carbonate is CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C([O-])O.
What is the InChIKey of ethyl(triphenyl)phosphanium;hydrogen carbonate?
The InChIKey is JDKXGAYKIYBQQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20P.CH2O3/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;2-1(3)4/h3-17H,2H2,1H3;(H2,2,3,4)/q+1;/p-1.
What are the key properties of ethyl(triphenyl)phosphanium;hydrogen carbonate?
ethyl(triphenyl)phosphanium;hydrogen carbonate has a molecular weight of 352.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(triphenyl)phosphanium;hydrogen carbonate is sourced from PubChem (CID 18951703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).