1-dimethylphosphorylpropan-1-ol

C5H13O2P — CID 59649408

IUPAC1-dimethylphosphorylpropan-1-ol
SMILESCCC(O)P(C)(C)=O
InChIInChI=1S/C5H13O2P/c1-4-5(6)8(2,3)7/h5-6H,4H2,1-3H3
InChIKeyDUGAWGNDBUGOFS-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.34
Rot. Bonds2

About 1-dimethylphosphorylpropan-1-ol

1-dimethylphosphorylpropan-1-ol (PubChem CID 59649408) has the molecular formula C5H13O2P and a molecular weight of 136.13 g/mol. Its IUPAC name is 1-dimethylphosphorylpropan-1-ol.

Molecular Properties

Compound Name1-dimethylphosphorylpropan-1-ol
PubChem CID59649408
Molecular FormulaC5H13O2P
Molecular Weight136.13 g/mol
Exact Mass136.07
IUPAC Name1-dimethylphosphorylpropan-1-ol
SMILESCCC(O)P(C)(C)=O
InChIInChI=1S/C5H13O2P/c1-4-5(6)8(2,3)7/h5-6H,4H2,1-3H3
InChIKeyDUGAWGNDBUGOFS-UHFFFAOYSA-N
XLogP1.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxypropylphosphonic acid
CID 12625401
ethyl(trimethyl)phosphanium;methylphosphonic acid;hydroiodide
CID 175282651
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613
1-dimethylphosphorylpropan-1-amine;hydrobromide
CID 159377336
sodium;ethanolate;phosphoric acid
CID 158540403
1-hydroxypropyl(octan-4-yloxy)phosphinic acid
CID 88818158
potassium;dihydrogen phosphate;ethanol
CID 160928957
[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
CID 15348708
[2-[ethyl(hydroxy)phosphoryl]-2-hydroxyethyl]-trimethylazanium
CID 89421203
[4-hydroxy-4-[hydroxy(methyl)phosphoryl]butyl]azanium
CID 23419556
methylphosphonic acid;dihydrochloride
CID 87344491

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphorylpropan-1-ol?
The IUPAC name of 1-dimethylphosphorylpropan-1-ol (CID 59649408) is 1-dimethylphosphorylpropan-1-ol.
What is the SMILES notation for 1-dimethylphosphorylpropan-1-ol?
The canonical SMILES for 1-dimethylphosphorylpropan-1-ol is CCC(O)P(C)(C)=O.
What is the InChIKey of 1-dimethylphosphorylpropan-1-ol?
The InChIKey is DUGAWGNDBUGOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2P/c1-4-5(6)8(2,3)7/h5-6H,4H2,1-3H3.
What are the key properties of 1-dimethylphosphorylpropan-1-ol?
1-dimethylphosphorylpropan-1-ol has a molecular weight of 136.13 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphorylpropan-1-ol is sourced from PubChem (CID 59649408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).