tributyl(carboxymethyl)phosphanium;hydrochloride

C14H31ClO2P+ — CID 87779051

IUPACtributyl(carboxymethyl)phosphanium;hydrochloride
SMILESCCCC[P+](CCCC)(CCCC)CC(=O)O.Cl
InChIInChI=1S/C14H29O2P.ClH/c1-4-7-10-17(11-8-5-2,12-9-6-3)13-14(15)16;/h4-13H2,1-3H3;1H/p+1
InChIKeyBAMIMZOBAMEDBE-UHFFFAOYSA-O
MW297.83 g/mol
LogP4.91
Rot. Bonds11

About tributyl(carboxymethyl)phosphanium;hydrochloride

tributyl(carboxymethyl)phosphanium;hydrochloride (PubChem CID 87779051) has the molecular formula C14H31ClO2P+ and a molecular weight of 297.83 g/mol. Its IUPAC name is tributyl(carboxymethyl)phosphanium;hydrochloride.

Molecular Properties

Compound Nametributyl(carboxymethyl)phosphanium;hydrochloride
PubChem CID87779051
Molecular FormulaC14H31ClO2P+
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Nametributyl(carboxymethyl)phosphanium;hydrochloride
SMILESCCCC[P+](CCCC)(CCCC)CC(=O)O.Cl
InChIInChI=1S/C14H29O2P.ClH/c1-4-7-10-17(11-8-5-2,12-9-6-3)13-14(15)16;/h4-13H2,1-3H3;1H/p+1
InChIKeyBAMIMZOBAMEDBE-UHFFFAOYSA-O
XLogP4.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,2-dicarboxyethyl-bis(2-ethylhexyl)sulfanium
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azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
tributyl(ethyl)phosphanium;yttrium
CID 157495061
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CID 14298660
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CID 70788967
3-ethyloctanoic acid;neodymium
CID 174650378

Frequently Asked Questions

What is the IUPAC name of tributyl(carboxymethyl)phosphanium;hydrochloride?
The IUPAC name of tributyl(carboxymethyl)phosphanium;hydrochloride (CID 87779051) is tributyl(carboxymethyl)phosphanium;hydrochloride.
What is the SMILES notation for tributyl(carboxymethyl)phosphanium;hydrochloride?
The canonical SMILES for tributyl(carboxymethyl)phosphanium;hydrochloride is CCCC[P+](CCCC)(CCCC)CC(=O)O.Cl.
What is the InChIKey of tributyl(carboxymethyl)phosphanium;hydrochloride?
The InChIKey is BAMIMZOBAMEDBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H29O2P.ClH/c1-4-7-10-17(11-8-5-2,12-9-6-3)13-14(15)16;/h4-13H2,1-3H3;1H/p+1.
What are the key properties of tributyl(carboxymethyl)phosphanium;hydrochloride?
tributyl(carboxymethyl)phosphanium;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(carboxymethyl)phosphanium;hydrochloride is sourced from PubChem (CID 87779051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).