1,1,2-tris(diethoxyphosphoryl)ethane

C14H33O9P3 — CID 10160299

IUPAC1,1,2-tris(diethoxyphosphoryl)ethane
SMILESCCOP(=O)(CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C14H33O9P3/c1-7-18-24(15,19-8-2)13-14(25(16,20-9-3)21-10-4)26(17,22-11-5)23-12-6/h14H,7-13H2,1-6H3
InChIKeySHROWEIKGGWXKL-UHFFFAOYSA-N
MW438.33 g/mol
LogP5.11
Rot. Bonds16

About 1,1,2-tris(diethoxyphosphoryl)ethane

1,1,2-tris(diethoxyphosphoryl)ethane (PubChem CID 10160299) has the molecular formula C14H33O9P3 and a molecular weight of 438.33 g/mol. Its IUPAC name is 1,1,2-tris(diethoxyphosphoryl)ethane.

Molecular Properties

Compound Name1,1,2-tris(diethoxyphosphoryl)ethane
PubChem CID10160299
Molecular FormulaC14H33O9P3
Molecular Weight438.33 g/mol
Exact Mass438.13
IUPAC Name1,1,2-tris(diethoxyphosphoryl)ethane
SMILESCCOP(=O)(CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C14H33O9P3/c1-7-18-24(15,19-8-2)13-14(25(16,20-9-3)21-10-4)26(17,22-11-5)23-12-6/h14H,7-13H2,1-6H3
InChIKeySHROWEIKGGWXKL-UHFFFAOYSA-N
XLogP5.11
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030
3,3-bis(diethoxyphosphoryl)propanenitrile
CID 15162590
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
2-[2,2-bis(diethoxyphosphoryl)ethyl]propanedioic acid
CID 23283927
3-diethoxyphosphoryl-1,1-difluoropropan-2-amine
CID 102408421
1,1-bis(diethoxyphosphoryl)tridecane
CID 172732742
2-diethoxyphosphoryl-1-methylsulfanylethanamine
CID 175798762
(2R)-1-diethoxyphosphoryl-2-fluorohexane
CID 125470992
4-(diethoxyphosphorylmethyl)octane
CID 102507048
N-(diethoxyphosphorylmethyl)propan-2-amine
CID 12633666
1-diethoxyphosphorylethanamine
CID 5149858
2-diethoxyphosphorylbutane
CID 2733649

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(diethoxyphosphoryl)ethane?
The IUPAC name of 1,1,2-tris(diethoxyphosphoryl)ethane (CID 10160299) is 1,1,2-tris(diethoxyphosphoryl)ethane.
What is the SMILES notation for 1,1,2-tris(diethoxyphosphoryl)ethane?
The canonical SMILES for 1,1,2-tris(diethoxyphosphoryl)ethane is CCOP(=O)(CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)OCC.
What is the InChIKey of 1,1,2-tris(diethoxyphosphoryl)ethane?
The InChIKey is SHROWEIKGGWXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33O9P3/c1-7-18-24(15,19-8-2)13-14(25(16,20-9-3)21-10-4)26(17,22-11-5)23-12-6/h14H,7-13H2,1-6H3.
What are the key properties of 1,1,2-tris(diethoxyphosphoryl)ethane?
1,1,2-tris(diethoxyphosphoryl)ethane has a molecular weight of 438.33 g/mol, XLogP of 5.11, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(diethoxyphosphoryl)ethane is sourced from PubChem (CID 10160299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).