dihydroxy(oxo)phosphanium;2-methylbutane

C5H14O3P+ — CID 87211582

IUPACdihydroxy(oxo)phosphanium;2-methylbutane
SMILESCCC(C)C.O=[P+](O)O
InChIInChI=1S/C5H12.HO3P/c1-4-5(2)3;1-4(2)3/h5H,4H2,1-3H3;(H-,1,2,3)/p+1
InChIKeyOZMUYOHEBRYIQY-UHFFFAOYSA-O
MW153.14 g/mol
LogP1.68
Rot. Bonds1

About dihydroxy(oxo)phosphanium;2-methylbutane

dihydroxy(oxo)phosphanium;2-methylbutane (PubChem CID 87211582) has the molecular formula C5H14O3P+ and a molecular weight of 153.14 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;2-methylbutane.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;2-methylbutane
PubChem CID87211582
Molecular FormulaC5H14O3P+
Molecular Weight153.14 g/mol
Exact Mass153.07
IUPAC Namedihydroxy(oxo)phosphanium;2-methylbutane
SMILESCCC(C)C.O=[P+](O)O
InChIInChI=1S/C5H12.HO3P/c1-4-5(2)3;1-4(2)3/h5H,4H2,1-3H3;(H-,1,2,3)/p+1
InChIKeyOZMUYOHEBRYIQY-UHFFFAOYSA-O
XLogP1.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
hydroxylamine;2-methylbutane
CID 175063986
acetic acid;2-methylbutane
CID 172862544
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine
CID 139533112
tris(carbonofluoridic acid);2-methylbutane
CID 175037504
CID 164983427
CID 164983427
2-methylbutane;nitric acid
CID 158412732
butane;ethane;methanol;2-methylbutane
CID 170758487

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;2-methylbutane?
The IUPAC name of dihydroxy(oxo)phosphanium;2-methylbutane (CID 87211582) is dihydroxy(oxo)phosphanium;2-methylbutane.
What is the SMILES notation for dihydroxy(oxo)phosphanium;2-methylbutane?
The canonical SMILES for dihydroxy(oxo)phosphanium;2-methylbutane is CCC(C)C.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;2-methylbutane?
The InChIKey is OZMUYOHEBRYIQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12.HO3P/c1-4-5(2)3;1-4(2)3/h5H,4H2,1-3H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;2-methylbutane?
dihydroxy(oxo)phosphanium;2-methylbutane has a molecular weight of 153.14 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;2-methylbutane is sourced from PubChem (CID 87211582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).