[2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium

C17H34O2P+ — CID 134171436

IUPAC[2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium
SMILESC=C(C)C(=O)OCC(C)CC(C)C[P+](CC)(CC)CC
InChIInChI=1S/C17H34O2P/c1-8-20(9-2,10-3)13-16(7)11-15(6)12-19-17(18)14(4)5/h15-16H,4,8-13H2,1-3,5-7H3/q+1
InChIKeyGWBOLVPEHNJXON-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.85
Rot. Bonds10

About [2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium

[2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium (PubChem CID 134171436) has the molecular formula C17H34O2P+ and a molecular weight of 301.43 g/mol. Its IUPAC name is [2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium.

Molecular Properties

Compound Name[2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium
PubChem CID134171436
Molecular FormulaC17H34O2P+
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name[2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium
SMILESC=C(C)C(=O)OCC(C)CC(C)C[P+](CC)(CC)CC
InChIInChI=1S/C17H34O2P/c1-8-20(9-2,10-3)13-16(7)11-15(6)12-19-17(18)14(4)5/h15-16H,4,8-13H2,1-3,5-7H3/q+1
InChIKeyGWBOLVPEHNJXON-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.85
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

[2,7,9-trimethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 175542458
triethyl(2-methylprop-2-enoyloxymethyl)phosphanium
CID 18683050
[2,5-dimethyl-4-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
CID 139804222
[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 19428958
ethane;(3-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 171797944
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
CID 20605307
(6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate
CID 139797896
(2-methyl-3-triethoxysilylpropyl) 2-methylprop-2-enoate
CID 22597143
ethyl 2-methylprop-2-enoate
CID 130475774
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
[4-hydroxy-6-methyl-7-(2-methylprop-2-enoyloxy)heptan-3-yl] 2-tert-butyl-2,3,3-trimethylbutanoate
CID 89087416

Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium?
The IUPAC name of [2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium (CID 134171436) is [2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium.
What is the SMILES notation for [2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium?
The canonical SMILES for [2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium is C=C(C)C(=O)OCC(C)CC(C)C[P+](CC)(CC)CC.
What is the InChIKey of [2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium?
The InChIKey is GWBOLVPEHNJXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2P/c1-8-20(9-2,10-3)13-16(7)11-15(6)12-19-17(18)14(4)5/h15-16H,4,8-13H2,1-3,5-7H3/q+1.
What are the key properties of [2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium?
[2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium has a molecular weight of 301.43 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium is sourced from PubChem (CID 134171436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).