5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane

C13H27O7P3 — CID 154432372

IUPAC5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane
SMILESCCC1(OP(C)(=O)OC2(CC)COP(C)OC2)COP(C)OC1
InChIInChI=1S/C13H27O7P3/c1-6-12(8-15-21(3)16-9-12)19-23(5,14)20-13(7-2)10-17-22(4)18-11-13/h6-11H2,1-5H3
InChIKeyUDROKEWGEIIGMG-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.12
Rot. Bonds6

About 5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane

5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane (PubChem CID 154432372) has the molecular formula C13H27O7P3 and a molecular weight of 388.27 g/mol. Its IUPAC name is 5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane
PubChem CID154432372
Molecular FormulaC13H27O7P3
Molecular Weight388.27 g/mol
Exact Mass388.10
IUPAC Name5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane
SMILESCCC1(OP(C)(=O)OC2(CC)COP(C)OC2)COP(C)OC1
InChIInChI=1S/C13H27O7P3/c1-6-12(8-15-21(3)16-9-12)19-23(5,14)20-13(7-2)10-17-22(4)18-11-13/h6-11H2,1-5H3
InChIKeyUDROKEWGEIIGMG-UHFFFAOYSA-N
XLogP4.12
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane
CID 170747106
(5-ethyl-2-oxo-1,3-dioxan-5-yl) prop-2-enyl carbonate
CID 122397635
2-methyl-1,3,2-dioxaphosphetane
CID 54570316
(1-ethylcyclohexyl) fluoro hydrogen phosphate
CID 175012184
4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
CID 13210
(5-ethyl-1,3-dioxan-5-yl) hydrogen carbonate
CID 67894102
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
[chlorooxy(methyl)phosphoryl] hypochlorite
CID 23175688
2-(3-ethyloxetan-3-yl)oxy-N,N-dimethylacetamide
CID 91387504
3-ethyl-3-methyloxetane
CID 135993267
(3-dimethoxyphosphoryloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-9-yl) dimethyl phosphate
CID 164758612
2-[(1-ethylcyclobutyl)oxymethyl]oxirane
CID 175392110

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane?
The IUPAC name of 5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane (CID 154432372) is 5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane is CCC1(OP(C)(=O)OC2(CC)COP(C)OC2)COP(C)OC1.
What is the InChIKey of 5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane?
The InChIKey is UDROKEWGEIIGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O7P3/c1-6-12(8-15-21(3)16-9-12)19-23(5,14)20-13(7-2)10-17-22(4)18-11-13/h6-11H2,1-5H3.
What are the key properties of 5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane?
5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane has a molecular weight of 388.27 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 154432372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).