tris(1-hydroxypropyl)-tetradecylphosphanium

C23H50O3P+ — CID 23087001

IUPACtris(1-hydroxypropyl)-tetradecylphosphanium
SMILESCCCCCCCCCCCCCC[P+](C(O)CC)(C(O)CC)C(O)CC
InChIInChI=1S/C23H50O3P/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-27(21(24)6-2,22(25)7-3)23(26)8-4/h21-26H,5-20H2,1-4H3/q+1
InChIKeyKCRDBLFDQCPSBH-UHFFFAOYSA-N
MW405.62 g/mol
LogP6.89
Rot. Bonds19

About tris(1-hydroxypropyl)-tetradecylphosphanium

tris(1-hydroxypropyl)-tetradecylphosphanium (PubChem CID 23087001) has the molecular formula C23H50O3P+ and a molecular weight of 405.62 g/mol. Its IUPAC name is tris(1-hydroxypropyl)-tetradecylphosphanium.

Molecular Properties

Compound Nametris(1-hydroxypropyl)-tetradecylphosphanium
PubChem CID23087001
Molecular FormulaC23H50O3P+
Molecular Weight405.62 g/mol
Exact Mass405.35
IUPAC Nametris(1-hydroxypropyl)-tetradecylphosphanium
SMILESCCCCCCCCCCCCCC[P+](C(O)CC)(C(O)CC)C(O)CC
InChIInChI=1S/C23H50O3P/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-27(21(24)6-2,22(25)7-3)23(26)8-4/h21-26H,5-20H2,1-4H3/q+1
InChIKeyKCRDBLFDQCPSBH-UHFFFAOYSA-N
XLogP6.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.62
LogP ≤ 56.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

nonacosane-14,15-diol
CID 91509633
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
azane;ethyl-dihydroxy-pentadecylphosphanium;hydrobromide
CID 174936658
hydroxy(tripentyl)phosphanium
CID 87283132
pentadecane-4,5-diol
CID 103454846
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
hentriacontane-14,16-diol
CID 87514654
icosan-3-ol
CID 14940768
(6S,8S)-heptacosane-6,8-diol
CID 10693038
4-methyltricosan-3-ol
CID 171485506
7-ethylpentadecan-8-ol
CID 91407819

Frequently Asked Questions

What is the IUPAC name of tris(1-hydroxypropyl)-tetradecylphosphanium?
The IUPAC name of tris(1-hydroxypropyl)-tetradecylphosphanium (CID 23087001) is tris(1-hydroxypropyl)-tetradecylphosphanium.
What is the SMILES notation for tris(1-hydroxypropyl)-tetradecylphosphanium?
The canonical SMILES for tris(1-hydroxypropyl)-tetradecylphosphanium is CCCCCCCCCCCCCC[P+](C(O)CC)(C(O)CC)C(O)CC.
What is the InChIKey of tris(1-hydroxypropyl)-tetradecylphosphanium?
The InChIKey is KCRDBLFDQCPSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O3P/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-27(21(24)6-2,22(25)7-3)23(26)8-4/h21-26H,5-20H2,1-4H3/q+1.
What are the key properties of tris(1-hydroxypropyl)-tetradecylphosphanium?
tris(1-hydroxypropyl)-tetradecylphosphanium has a molecular weight of 405.62 g/mol, XLogP of 6.89, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-hydroxypropyl)-tetradecylphosphanium is sourced from PubChem (CID 23087001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).