2-hydroxypropyl-oxo-pentadecylphosphanium

C18H38O2P+ — CID 151683091

IUPAC2-hydroxypropyl-oxo-pentadecylphosphanium
SMILESCCCCCCCCCCCCCCC[P+](=O)CC(C)O
InChIInChI=1S/C18H38O2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(20)17-18(2)19/h18-19H,3-17H2,1-2H3/q+1
InChIKeyYYDHOVOXZBDLIC-UHFFFAOYSA-N
MW317.47 g/mol
LogP6.29
Rot. Bonds16

About 2-hydroxypropyl-oxo-pentadecylphosphanium

2-hydroxypropyl-oxo-pentadecylphosphanium (PubChem CID 151683091) has the molecular formula C18H38O2P+ and a molecular weight of 317.47 g/mol. Its IUPAC name is 2-hydroxypropyl-oxo-pentadecylphosphanium.

Molecular Properties

Compound Name2-hydroxypropyl-oxo-pentadecylphosphanium
PubChem CID151683091
Molecular FormulaC18H38O2P+
Molecular Weight317.47 g/mol
Exact Mass317.26
IUPAC Name2-hydroxypropyl-oxo-pentadecylphosphanium
SMILESCCCCCCCCCCCCCCC[P+](=O)CC(C)O
InChIInChI=1S/C18H38O2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(20)17-18(2)19/h18-19H,3-17H2,1-2H3/q+1
InChIKeyYYDHOVOXZBDLIC-UHFFFAOYSA-N
XLogP6.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.47
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-hydroxypropyl-oxo-undecylphosphanium
CID 173360808
octane;propan-2-ol
CID 160746796
2-[[(2S,3S)-3-hexadecoxy-2-hydroxybutyl]-oxophosphaniumyl]ethyl-trimethylazanium
CID 88639532
hydroxy-octyl-oxophosphanium;nickel
CID 87136142
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
acetic acid;tridecan-2-ol
CID 71339808
docosan-2-ol
CID 14151025
(2S)-octadecan-2-ol
CID 25022019
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl-oxo-pentadecylphosphanium?
The IUPAC name of 2-hydroxypropyl-oxo-pentadecylphosphanium (CID 151683091) is 2-hydroxypropyl-oxo-pentadecylphosphanium.
What is the SMILES notation for 2-hydroxypropyl-oxo-pentadecylphosphanium?
The canonical SMILES for 2-hydroxypropyl-oxo-pentadecylphosphanium is CCCCCCCCCCCCCCC[P+](=O)CC(C)O.
What is the InChIKey of 2-hydroxypropyl-oxo-pentadecylphosphanium?
The InChIKey is YYDHOVOXZBDLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(20)17-18(2)19/h18-19H,3-17H2,1-2H3/q+1.
What are the key properties of 2-hydroxypropyl-oxo-pentadecylphosphanium?
2-hydroxypropyl-oxo-pentadecylphosphanium has a molecular weight of 317.47 g/mol, XLogP of 6.29, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl-oxo-pentadecylphosphanium is sourced from PubChem (CID 151683091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).