2,2-dimethylpropyl(trihydroxy)phosphanium

C5H14O3P+ — CID 87161988

IUPAC2,2-dimethylpropyl(trihydroxy)phosphanium
SMILESCC(C)(C)C[P+](O)(O)O
InChIInChI=1S/C5H14O3P/c1-5(2,3)4-9(6,7)8/h6-8H,4H2,1-3H3/q+1
InChIKeyRGLGAWHWIUYGLS-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.77
Rot. Bonds1

About 2,2-dimethylpropyl(trihydroxy)phosphanium

2,2-dimethylpropyl(trihydroxy)phosphanium (PubChem CID 87161988) has the molecular formula C5H14O3P+ and a molecular weight of 153.14 g/mol. Its IUPAC name is 2,2-dimethylpropyl(trihydroxy)phosphanium.

Molecular Properties

Compound Name2,2-dimethylpropyl(trihydroxy)phosphanium
PubChem CID87161988
Molecular FormulaC5H14O3P+
Molecular Weight153.14 g/mol
Exact Mass153.07
IUPAC Name2,2-dimethylpropyl(trihydroxy)phosphanium
SMILESCC(C)(C)C[P+](O)(O)O
InChIInChI=1S/C5H14O3P/c1-5(2,3)4-9(6,7)8/h6-8H,4H2,1-3H3/q+1
InChIKeyRGLGAWHWIUYGLS-UHFFFAOYSA-N
XLogP0.77
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl(trihydroxy)phosphanium?
The IUPAC name of 2,2-dimethylpropyl(trihydroxy)phosphanium (CID 87161988) is 2,2-dimethylpropyl(trihydroxy)phosphanium.
What is the SMILES notation for 2,2-dimethylpropyl(trihydroxy)phosphanium?
The canonical SMILES for 2,2-dimethylpropyl(trihydroxy)phosphanium is CC(C)(C)C[P+](O)(O)O.
What is the InChIKey of 2,2-dimethylpropyl(trihydroxy)phosphanium?
The InChIKey is RGLGAWHWIUYGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O3P/c1-5(2,3)4-9(6,7)8/h6-8H,4H2,1-3H3/q+1.
What are the key properties of 2,2-dimethylpropyl(trihydroxy)phosphanium?
2,2-dimethylpropyl(trihydroxy)phosphanium has a molecular weight of 153.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl(trihydroxy)phosphanium is sourced from PubChem (CID 87161988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).