6-hydroxyhexyl(triphenyl)phosphanium

C24H28OP+ — CID 2784665

IUPAC6-hydroxyhexyl(triphenyl)phosphanium
SMILESOCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28OP/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,25H,1-2,12-13,20-21H2/q+1
InChIKeyBVUGCDWHWUYLII-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.53
Rot. Bonds9

About 6-hydroxyhexyl(triphenyl)phosphanium

6-hydroxyhexyl(triphenyl)phosphanium (PubChem CID 2784665) has the molecular formula C24H28OP+ and a molecular weight of 363.46 g/mol. Its IUPAC name is 6-hydroxyhexyl(triphenyl)phosphanium.

Molecular Properties

Compound Name6-hydroxyhexyl(triphenyl)phosphanium
PubChem CID2784665
Molecular FormulaC24H28OP+
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name6-hydroxyhexyl(triphenyl)phosphanium
SMILESOCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28OP/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,25H,1-2,12-13,20-21H2/q+1
InChIKeyBVUGCDWHWUYLII-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexyl(triphenyl)phosphanium?
The IUPAC name of 6-hydroxyhexyl(triphenyl)phosphanium (CID 2784665) is 6-hydroxyhexyl(triphenyl)phosphanium.
What is the SMILES notation for 6-hydroxyhexyl(triphenyl)phosphanium?
The canonical SMILES for 6-hydroxyhexyl(triphenyl)phosphanium is OCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-hydroxyhexyl(triphenyl)phosphanium?
The InChIKey is BVUGCDWHWUYLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28OP/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,25H,1-2,12-13,20-21H2/q+1.
What are the key properties of 6-hydroxyhexyl(triphenyl)phosphanium?
6-hydroxyhexyl(triphenyl)phosphanium has a molecular weight of 363.46 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexyl(triphenyl)phosphanium is sourced from PubChem (CID 2784665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).