1-hydroxypropyl(trimethyl)phosphanium

C6H16OP+ — CID 175448863

IUPAC1-hydroxypropyl(trimethyl)phosphanium
SMILESCCC(O)[P+](C)(C)C
InChIInChI=1S/C6H16OP/c1-5-6(7)8(2,3)4/h6-7H,5H2,1-4H3/q+1
InChIKeyREXWCWCPAVFJDX-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.62
Rot. Bonds2

About 1-hydroxypropyl(trimethyl)phosphanium

1-hydroxypropyl(trimethyl)phosphanium (PubChem CID 175448863) has the molecular formula C6H16OP+ and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-hydroxypropyl(trimethyl)phosphanium.

Molecular Properties

Compound Name1-hydroxypropyl(trimethyl)phosphanium
PubChem CID175448863
Molecular FormulaC6H16OP+
Molecular Weight135.17 g/mol
Exact Mass135.09
IUPAC Name1-hydroxypropyl(trimethyl)phosphanium
SMILESCCC(O)[P+](C)(C)C
InChIInChI=1S/C6H16OP/c1-5-6(7)8(2,3)4/h6-7H,5H2,1-4H3/q+1
InChIKeyREXWCWCPAVFJDX-UHFFFAOYSA-N
XLogP1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-hydroxypropyl(trimethyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
tris(butan-2-ol);gallane
CID 175569742
(3R)-3-hydroxy-2-methylpentanenitrile
CID 141061922
(2S,3S,4R)-hexane-2,3,4-triol
CID 91758700
(3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol
CID 10488429
3-methylhexane-2,4-diol
CID 22245660
magnesium;2-methylpentan-3-ol;dichloride
CID 175030591
butan-2-ol;ethanol
CID 174347632
butan-2-ol;ethanol
CID 87396559
bis(butan-2-ol);carbanide;tantalum
CID 22416357

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropyl(trimethyl)phosphanium?
The IUPAC name of 1-hydroxypropyl(trimethyl)phosphanium (CID 175448863) is 1-hydroxypropyl(trimethyl)phosphanium.
What is the SMILES notation for 1-hydroxypropyl(trimethyl)phosphanium?
The canonical SMILES for 1-hydroxypropyl(trimethyl)phosphanium is CCC(O)[P+](C)(C)C.
What is the InChIKey of 1-hydroxypropyl(trimethyl)phosphanium?
The InChIKey is REXWCWCPAVFJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16OP/c1-5-6(7)8(2,3)4/h6-7H,5H2,1-4H3/q+1.
What are the key properties of 1-hydroxypropyl(trimethyl)phosphanium?
1-hydroxypropyl(trimethyl)phosphanium has a molecular weight of 135.17 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropyl(trimethyl)phosphanium is sourced from PubChem (CID 175448863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).