(3-hydroxy-2-methylpropyl)-oxido-oxophosphanium

C4H9O3P — CID 159444986

IUPAC(3-hydroxy-2-methylpropyl)-oxido-oxophosphanium
SMILESCC(CO)C[P+](=O)[O-]
InChIInChI=1S/C4H9O3P/c1-4(2-5)3-8(6)7/h4-5H,2-3H2,1H3
InChIKeyHSVSWRWGWGILFW-UHFFFAOYSA-N
MW136.09 g/mol
LogP-0.28
Rot. Bonds3

About (3-hydroxy-2-methylpropyl)-oxido-oxophosphanium

(3-hydroxy-2-methylpropyl)-oxido-oxophosphanium (PubChem CID 159444986) has the molecular formula C4H9O3P and a molecular weight of 136.09 g/mol. Its IUPAC name is (3-hydroxy-2-methylpropyl)-oxido-oxophosphanium.

Molecular Properties

Compound Name(3-hydroxy-2-methylpropyl)-oxido-oxophosphanium
PubChem CID159444986
Molecular FormulaC4H9O3P
Molecular Weight136.09 g/mol
Exact Mass136.03
IUPAC Name(3-hydroxy-2-methylpropyl)-oxido-oxophosphanium
SMILESCC(CO)C[P+](=O)[O-]
InChIInChI=1S/C4H9O3P/c1-4(2-5)3-8(6)7/h4-5H,2-3H2,1H3
InChIKeyHSVSWRWGWGILFW-UHFFFAOYSA-N
XLogP-0.28
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methylpropane-1,3-diol
CID 87127502
disodium;2-methylpropane-1,3-diol;sulfate
CID 158006830
hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium
CID 122542023
2,4-dimethylpentane-1,5-diol
CID 10964552
sodium (3S)-4-hydroxy-3-methylbutanoate
CID 174528120
(2-hydroxy-1-phosphoethyl)azanium
CID 171375849
2,3-difluoropropyl-oxido-oxophosphanium
CID 175080895
1-hydroxypropan-2-olate
CID 21225559
2-methylbutan-1-ol;zirconium
CID 152608404
2,6-dimethylheptane-1,7-diol
CID 12653721
sodium 1-hydroxyethyl-oxido-oxophosphanium
CID 23706939
tetrakis(3-hydroxy-2-methylpropyl)azanium
CID 19093143

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylpropyl)-oxido-oxophosphanium?
The IUPAC name of (3-hydroxy-2-methylpropyl)-oxido-oxophosphanium (CID 159444986) is (3-hydroxy-2-methylpropyl)-oxido-oxophosphanium.
What is the SMILES notation for (3-hydroxy-2-methylpropyl)-oxido-oxophosphanium?
The canonical SMILES for (3-hydroxy-2-methylpropyl)-oxido-oxophosphanium is CC(CO)C[P+](=O)[O-].
What is the InChIKey of (3-hydroxy-2-methylpropyl)-oxido-oxophosphanium?
The InChIKey is HSVSWRWGWGILFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3P/c1-4(2-5)3-8(6)7/h4-5H,2-3H2,1H3.
What are the key properties of (3-hydroxy-2-methylpropyl)-oxido-oxophosphanium?
(3-hydroxy-2-methylpropyl)-oxido-oxophosphanium has a molecular weight of 136.09 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methylpropyl)-oxido-oxophosphanium is sourced from PubChem (CID 159444986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).