2,2-dimethylpropyl-hydroxy-oxophosphanium

C5H12O2P+ — CID 89268152

IUPAC2,2-dimethylpropyl-hydroxy-oxophosphanium
SMILESCC(C)(C)C[P+](=O)O
InChIInChI=1S/C5H11O2P/c1-5(2,3)4-8(6)7/h4H2,1-3H3/p+1
InChIKeyKOOVRLLQUNUZNT-UHFFFAOYSA-O
MW135.12 g/mol
LogP1.77
Rot. Bonds1

About 2,2-dimethylpropyl-hydroxy-oxophosphanium

2,2-dimethylpropyl-hydroxy-oxophosphanium (PubChem CID 89268152) has the molecular formula C5H12O2P+ and a molecular weight of 135.12 g/mol. Its IUPAC name is 2,2-dimethylpropyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2,2-dimethylpropyl-hydroxy-oxophosphanium
PubChem CID89268152
Molecular FormulaC5H12O2P+
Molecular Weight135.12 g/mol
Exact Mass135.06
IUPAC Name2,2-dimethylpropyl-hydroxy-oxophosphanium
SMILESCC(C)(C)C[P+](=O)O
InChIInChI=1S/C5H11O2P/c1-5(2,3)4-8(6)7/h4H2,1-3H3/p+1
InChIKeyKOOVRLLQUNUZNT-UHFFFAOYSA-O
XLogP1.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethylpropyl-hydroxy-oxophosphanium 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

[2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium
CID 91112345
ethyl-hydroxy-oxophosphanium;dihydrochloride
CID 88745268
(2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium
CID 175225306
calcium;ethyl-hydroxy-oxophosphanium;hydride
CID 174736026
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
3-bromo-3-methylpentane;dihydroxy(oxo)phosphanium
CID 159355693
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582
hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium
CID 130434432
hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium
CID 14765238
2,4-dicarboxybutan-2-yl-hydroxy-oxophosphanium
CID 19357259
hydroxy-oxo-propylphosphanium;zinc
CID 87094262
dihydroxy(oxo)phosphanium;1,3,5-trichloro-3-methylpentane
CID 158600655

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl-hydroxy-oxophosphanium?
The IUPAC name of 2,2-dimethylpropyl-hydroxy-oxophosphanium (CID 89268152) is 2,2-dimethylpropyl-hydroxy-oxophosphanium.
What is the SMILES notation for 2,2-dimethylpropyl-hydroxy-oxophosphanium?
The canonical SMILES for 2,2-dimethylpropyl-hydroxy-oxophosphanium is CC(C)(C)C[P+](=O)O.
What is the InChIKey of 2,2-dimethylpropyl-hydroxy-oxophosphanium?
The InChIKey is KOOVRLLQUNUZNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11O2P/c1-5(2,3)4-8(6)7/h4H2,1-3H3/p+1.
What are the key properties of 2,2-dimethylpropyl-hydroxy-oxophosphanium?
2,2-dimethylpropyl-hydroxy-oxophosphanium has a molecular weight of 135.12 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-hydroxy-oxophosphanium is sourced from PubChem (CID 89268152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).