3-methylphosphanylpropane-1,1,1-triol

C4H11O3P — CID 88687506

IUPAC3-methylphosphanylpropane-1,1,1-triol
SMILESCPCCC(O)(O)O
InChIInChI=1S/C4H11O3P/c1-8-3-2-4(5,6)7/h5-8H,2-3H2,1H3
InChIKeyVKETWFQXALCQSR-UHFFFAOYSA-N
MW138.10 g/mol
LogP-0.68
Rot. Bonds3

About 3-methylphosphanylpropane-1,1,1-triol

3-methylphosphanylpropane-1,1,1-triol (PubChem CID 88687506) has the molecular formula C4H11O3P and a molecular weight of 138.10 g/mol. Its IUPAC name is 3-methylphosphanylpropane-1,1,1-triol.

Molecular Properties

Compound Name3-methylphosphanylpropane-1,1,1-triol
PubChem CID88687506
Molecular FormulaC4H11O3P
Molecular Weight138.10 g/mol
Exact Mass138.04
IUPAC Name3-methylphosphanylpropane-1,1,1-triol
SMILESCPCCC(O)(O)O
InChIInChI=1S/C4H11O3P/c1-8-3-2-4(5,6)7/h5-8H,2-3H2,1H3
InChIKeyVKETWFQXALCQSR-UHFFFAOYSA-N
XLogP-0.68
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methylphosphanylethanol
CID 21363171
butane-1,1,1-triol;hydrochloride
CID 140976874
4,4-dibromobutane-1,1,1-triol
CID 118276088
2-methylphosphanylethanethiol
CID 146234008
triacontane-1,1,1-triol
CID 87376487
dodecane-1,1,1-triol
CID 22412604
hexadecane-1,1,1-triol;hydrobromide
CID 174918449
2-methylpropan-2-ol;molybdenum
CID 174435313
7,7,7-trihydroxyheptan-2-one
CID 87744670
5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol
CID 87378318
cyclobutane;ethane;methyl(propyl)phosphane
CID 142075286
hexane-1,6-diol;hexane-1,1,1-triol
CID 157140368

Frequently Asked Questions

What is the IUPAC name of 3-methylphosphanylpropane-1,1,1-triol?
The IUPAC name of 3-methylphosphanylpropane-1,1,1-triol (CID 88687506) is 3-methylphosphanylpropane-1,1,1-triol.
What is the SMILES notation for 3-methylphosphanylpropane-1,1,1-triol?
The canonical SMILES for 3-methylphosphanylpropane-1,1,1-triol is CPCCC(O)(O)O.
What is the InChIKey of 3-methylphosphanylpropane-1,1,1-triol?
The InChIKey is VKETWFQXALCQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P/c1-8-3-2-4(5,6)7/h5-8H,2-3H2,1H3.
What are the key properties of 3-methylphosphanylpropane-1,1,1-triol?
3-methylphosphanylpropane-1,1,1-triol has a molecular weight of 138.10 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylphosphanylpropane-1,1,1-triol is sourced from PubChem (CID 88687506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).