tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate

C16H32BF4O2P — CID 139819065

IUPACtributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate
SMILESC=CC(=O)OC[P+](CCCC)(CCCC)CCCC.F[B-](F)(F)F
InChIInChI=1S/C16H32O2P.BF4/c1-5-9-12-19(13-10-6-2,14-11-7-3)15-18-16(17)8-4;2-1(3,4)5/h8H,4-7,9-15H2,1-3H3;/q+1;-1
InChIKeyKJBYMCIXAUFQOD-UHFFFAOYSA-N
MW374.21 g/mol
LogP6.39
Rot. Bonds12

About tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate

tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate (PubChem CID 139819065) has the molecular formula C16H32BF4O2P and a molecular weight of 374.21 g/mol. Its IUPAC name is tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate.

Molecular Properties

Compound Nametributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate
PubChem CID139819065
Molecular FormulaC16H32BF4O2P
Molecular Weight374.21 g/mol
Exact Mass374.22
IUPAC Nametributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate
SMILESC=CC(=O)OC[P+](CCCC)(CCCC)CCCC.F[B-](F)(F)F
InChIInChI=1S/C16H32O2P.BF4/c1-5-9-12-19(13-10-6-2,14-11-7-3)15-18-16(17)8-4;2-1(3,4)5/h8H,4-7,9-15H2,1-3H3;/q+1;-1
InChIKeyKJBYMCIXAUFQOD-UHFFFAOYSA-N
XLogP6.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.21
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride
CID 11221390
tributyl(4-prop-2-enoyloxybutyl)phosphanium
CID 18779276
4-hydroxyoctyl prop-2-enoate
CID 142754995
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
2-butyldodecyl prop-2-enoate
CID 141303705
2-octyldecyl prop-2-enoate
CID 71353023
6-methyltetradecyl prop-2-enoate
CID 87169125
7-methyltridecyl prop-2-enoate
CID 139834261
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
3-hydroxyheptadecyl prop-2-enoate
CID 89438234
2-ethylhexyl prop-2-enoate;heptyl prop-2-enoate
CID 19881997
2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate
CID 87522127

Frequently Asked Questions

What is the IUPAC name of tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate?
The IUPAC name of tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate (CID 139819065) is tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate.
What is the SMILES notation for tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate?
The canonical SMILES for tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate is C=CC(=O)OC[P+](CCCC)(CCCC)CCCC.F[B-](F)(F)F.
What is the InChIKey of tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate?
The InChIKey is KJBYMCIXAUFQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2P.BF4/c1-5-9-12-19(13-10-6-2,14-11-7-3)15-18-16(17)8-4;2-1(3,4)5/h8H,4-7,9-15H2,1-3H3;/q+1;-1.
What are the key properties of tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate?
tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate has a molecular weight of 374.21 g/mol, XLogP of 6.39, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(prop-2-enoyloxymethyl)phosphanium tetrafluoroborate is sourced from PubChem (CID 139819065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).