tributyl(4-prop-2-enoyloxybutyl)phosphanium

C19H38O2P+ — CID 18779276

IUPACtributyl(4-prop-2-enoyloxybutyl)phosphanium
SMILESC=CC(=O)OCCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C19H38O2P/c1-5-9-15-22(16-10-6-2,17-11-7-3)18-13-12-14-21-19(20)8-4/h8H,4-7,9-18H2,1-3H3/q+1
InChIKeyUSYZPRRVRBFYJO-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.91
Rot. Bonds15

About tributyl(4-prop-2-enoyloxybutyl)phosphanium

tributyl(4-prop-2-enoyloxybutyl)phosphanium (PubChem CID 18779276) has the molecular formula C19H38O2P+ and a molecular weight of 329.49 g/mol. Its IUPAC name is tributyl(4-prop-2-enoyloxybutyl)phosphanium.

Molecular Properties

Compound Nametributyl(4-prop-2-enoyloxybutyl)phosphanium
PubChem CID18779276
Molecular FormulaC19H38O2P+
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Nametributyl(4-prop-2-enoyloxybutyl)phosphanium
SMILESC=CC(=O)OCCCC[P+](CCCC)(CCCC)CCCC
InChIInChI=1S/C19H38O2P/c1-5-9-15-22(16-10-6-2,17-11-7-3)18-13-12-14-21-19(20)8-4/h8H,4-7,9-18H2,1-3H3/q+1
InChIKeyUSYZPRRVRBFYJO-UHFFFAOYSA-N
XLogP5.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride
CID 11221390
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
4-hydroxyoctyl prop-2-enoate
CID 142754995
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
azane;octyl prop-2-enoate
CID 175482602
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000

Frequently Asked Questions

What is the IUPAC name of tributyl(4-prop-2-enoyloxybutyl)phosphanium?
The IUPAC name of tributyl(4-prop-2-enoyloxybutyl)phosphanium (CID 18779276) is tributyl(4-prop-2-enoyloxybutyl)phosphanium.
What is the SMILES notation for tributyl(4-prop-2-enoyloxybutyl)phosphanium?
The canonical SMILES for tributyl(4-prop-2-enoyloxybutyl)phosphanium is C=CC(=O)OCCCC[P+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(4-prop-2-enoyloxybutyl)phosphanium?
The InChIKey is USYZPRRVRBFYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2P/c1-5-9-15-22(16-10-6-2,17-11-7-3)18-13-12-14-21-19(20)8-4/h8H,4-7,9-18H2,1-3H3/q+1.
What are the key properties of tributyl(4-prop-2-enoyloxybutyl)phosphanium?
tributyl(4-prop-2-enoyloxybutyl)phosphanium has a molecular weight of 329.49 g/mol, XLogP of 5.91, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(4-prop-2-enoyloxybutyl)phosphanium is sourced from PubChem (CID 18779276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).