tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium

C16H34O2P+ — CID 162403304

IUPACtributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium
SMILESCCCC[P+](C/C=C(\O)OC)(CCCC)CCCC
InChIInChI=1S/C16H33O2P/c1-5-8-12-19(13-9-6-2,14-10-7-3)15-11-16(17)18-4/h11H,5-10,12-15H2,1-4H3/p+1/b16-11+
InChIKeyBJSSQFWUJPSMJC-LFIBNONCSA-O
MW289.42 g/mol
LogP5.45
Rot. Bonds12

About tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium

tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium (PubChem CID 162403304) has the molecular formula C16H34O2P+ and a molecular weight of 289.42 g/mol. Its IUPAC name is tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium.

Molecular Properties

Compound Nametributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium
PubChem CID162403304
Molecular FormulaC16H34O2P+
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Nametributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium
SMILESCCCC[P+](C/C=C(\O)OC)(CCCC)CCCC
InChIInChI=1S/C16H33O2P/c1-5-8-12-19(13-9-6-2,14-10-7-3)15-11-16(17)18-4/h11H,5-10,12-15H2,1-4H3/p+1/b16-11+
InChIKeyBJSSQFWUJPSMJC-LFIBNONCSA-O
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium?
The IUPAC name of tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium (CID 162403304) is tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium.
What is the SMILES notation for tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium?
The canonical SMILES for tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium is CCCC[P+](C/C=C(\O)OC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium?
The InChIKey is BJSSQFWUJPSMJC-LFIBNONCSA-O. The full InChI is InChI=1S/C16H33O2P/c1-5-8-12-19(13-9-6-2,14-10-7-3)15-11-16(17)18-4/h11H,5-10,12-15H2,1-4H3/p+1/b16-11+.
What are the key properties of tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium?
tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium has a molecular weight of 289.42 g/mol, XLogP of 5.45, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium is sourced from PubChem (CID 162403304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).