2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol

C8H20NO3P — CID 174435881

IUPAC2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol
SMILESCCN(CC)C(C)PC(O)C(O)O
InChIInChI=1S/C8H20NO3P/c1-4-9(5-2)6(3)13-8(12)7(10)11/h6-8,10-13H,4-5H2,1-3H3
InChIKeyZZIPFVDLCRVEIZ-UHFFFAOYSA-N
MW209.23 g/mol
LogP-0.02
Rot. Bonds6

About 2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol

2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol (PubChem CID 174435881) has the molecular formula C8H20NO3P and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol.

Molecular Properties

Compound Name2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol
PubChem CID174435881
Molecular FormulaC8H20NO3P
Molecular Weight209.23 g/mol
Exact Mass209.12
IUPAC Name2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol
SMILESCCN(CC)C(C)PC(O)C(O)O
InChIInChI=1S/C8H20NO3P/c1-4-9(5-2)6(3)13-8(12)7(10)11/h6-8,10-13H,4-5H2,1-3H3
InChIKeyZZIPFVDLCRVEIZ-UHFFFAOYSA-N
XLogP-0.02
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol?
The IUPAC name of 2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol (CID 174435881) is 2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol.
What is the SMILES notation for 2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol?
The canonical SMILES for 2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol is CCN(CC)C(C)PC(O)C(O)O.
What is the InChIKey of 2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol?
The InChIKey is ZZIPFVDLCRVEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3P/c1-4-9(5-2)6(3)13-8(12)7(10)11/h6-8,10-13H,4-5H2,1-3H3.
What are the key properties of 2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol?
2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol has a molecular weight of 209.23 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)ethylphosphanyl]ethane-1,1,2-triol is sourced from PubChem (CID 174435881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).