dihydroxy-methyl-(2-methylpropoxy)phosphanium

C5H14O3P+ — CID 88713877

IUPACdihydroxy-methyl-(2-methylpropoxy)phosphanium
SMILESCC(C)CO[P+](C)(O)O
InChIInChI=1S/C5H14O3P/c1-5(2)4-8-9(3,6)7/h5-7H,4H2,1-3H3/q+1
InChIKeyRJCCHMJRNIZHPO-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.04
Rot. Bonds3

About dihydroxy-methyl-(2-methylpropoxy)phosphanium

dihydroxy-methyl-(2-methylpropoxy)phosphanium (PubChem CID 88713877) has the molecular formula C5H14O3P+ and a molecular weight of 153.14 g/mol. Its IUPAC name is dihydroxy-methyl-(2-methylpropoxy)phosphanium.

Molecular Properties

Compound Namedihydroxy-methyl-(2-methylpropoxy)phosphanium
PubChem CID88713877
Molecular FormulaC5H14O3P+
Molecular Weight153.14 g/mol
Exact Mass153.07
IUPAC Namedihydroxy-methyl-(2-methylpropoxy)phosphanium
SMILESCC(C)CO[P+](C)(O)O
InChIInChI=1S/C5H14O3P/c1-5(2)4-8-9(3,6)7/h5-7H,4H2,1-3H3/q+1
InChIKeyRJCCHMJRNIZHPO-UHFFFAOYSA-N
XLogP1.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.04
H-Bond Donors ≤ 52
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 dihydroxy-methyl-(2-methylpropoxy)phosphanium?
The IUPAC name of dihydroxy-methyl-(2-methylpropoxy)phosphanium (CID 88713877) is dihydroxy-methyl-(2-methylpropoxy)phosphanium.
What is the SMILES notation for dihydroxy-methyl-(2-methylpropoxy)phosphanium?
The canonical SMILES for dihydroxy-methyl-(2-methylpropoxy)phosphanium is CC(C)CO[P+](C)(O)O.
What is the InChIKey of dihydroxy-methyl-(2-methylpropoxy)phosphanium?
The InChIKey is RJCCHMJRNIZHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O3P/c1-5(2)4-8-9(3,6)7/h5-7H,4H2,1-3H3/q+1.
What are the key properties of dihydroxy-methyl-(2-methylpropoxy)phosphanium?
dihydroxy-methyl-(2-methylpropoxy)phosphanium has a molecular weight of 153.14 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methyl-(2-methylpropoxy)phosphanium is sourced from PubChem (CID 88713877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).