triethyl(2-methylprop-2-enoyloxymethyl)phosphanium

C11H22O2P+ — CID 18683050

IUPACtriethyl(2-methylprop-2-enoyloxymethyl)phosphanium
SMILESC=C(C)C(=O)OC[P+](CC)(CC)CC
InChIInChI=1S/C11H22O2P/c1-6-14(7-2,8-3)9-13-11(12)10(4)5/h4,6-9H2,1-3,5H3/q+1
InChIKeyWAQGICOEJYHTCI-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.14
Rot. Bonds6

About triethyl(2-methylprop-2-enoyloxymethyl)phosphanium

triethyl(2-methylprop-2-enoyloxymethyl)phosphanium (PubChem CID 18683050) has the molecular formula C11H22O2P+ and a molecular weight of 217.27 g/mol. Its IUPAC name is triethyl(2-methylprop-2-enoyloxymethyl)phosphanium.

Molecular Properties

Compound Nametriethyl(2-methylprop-2-enoyloxymethyl)phosphanium
PubChem CID18683050
Molecular FormulaC11H22O2P+
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Nametriethyl(2-methylprop-2-enoyloxymethyl)phosphanium
SMILESC=C(C)C(=O)OC[P+](CC)(CC)CC
InChIInChI=1S/C11H22O2P/c1-6-14(7-2,8-3)9-13-11(12)10(4)5/h4,6-9H2,1-3,5H3/q+1
InChIKeyWAQGICOEJYHTCI-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium
CID 134171436
ethyl 2-methylprop-2-enoate
CID 130475774
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
triethyl-[12-(2-methylprop-2-enoyloxy)dodecyl]phosphanium bromide
CID 121293506
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
2-dimethylsilyloxybutyl 2-methylprop-2-enoate
CID 123902003
2-isocyanobutyl 2-methylprop-2-enoate
CID 141496484
[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 87650049

Frequently Asked Questions

What is the IUPAC name of triethyl(2-methylprop-2-enoyloxymethyl)phosphanium?
The IUPAC name of triethyl(2-methylprop-2-enoyloxymethyl)phosphanium (CID 18683050) is triethyl(2-methylprop-2-enoyloxymethyl)phosphanium.
What is the SMILES notation for triethyl(2-methylprop-2-enoyloxymethyl)phosphanium?
The canonical SMILES for triethyl(2-methylprop-2-enoyloxymethyl)phosphanium is C=C(C)C(=O)OC[P+](CC)(CC)CC.
What is the InChIKey of triethyl(2-methylprop-2-enoyloxymethyl)phosphanium?
The InChIKey is WAQGICOEJYHTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2P/c1-6-14(7-2,8-3)9-13-11(12)10(4)5/h4,6-9H2,1-3,5H3/q+1.
What are the key properties of triethyl(2-methylprop-2-enoyloxymethyl)phosphanium?
triethyl(2-methylprop-2-enoyloxymethyl)phosphanium has a molecular weight of 217.27 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-methylprop-2-enoyloxymethyl)phosphanium is sourced from PubChem (CID 18683050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).