2-ethoxy-4-methyl-1,3,2-dioxaphosphinane

C6H13O3P — CID 12911267

IUPAC2-ethoxy-4-methyl-1,3,2-dioxaphosphinane
SMILESCCOP1OCCC(C)O1
InChIInChI=1S/C6H13O3P/c1-3-7-10-8-5-4-6(2)9-10/h6H,3-5H2,1-2H3
InChIKeyOLLFKKGATIXJSN-UHFFFAOYSA-N
MW164.14 g/mol
LogP2.08
Rot. Bonds2

About 2-ethoxy-4-methyl-1,3,2-dioxaphosphinane

2-ethoxy-4-methyl-1,3,2-dioxaphosphinane (PubChem CID 12911267) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-ethoxy-4-methyl-1,3,2-dioxaphosphinane
PubChem CID12911267
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name2-ethoxy-4-methyl-1,3,2-dioxaphosphinane
SMILESCCOP1OCCC(C)O1
InChIInChI=1S/C6H13O3P/c1-3-7-10-8-5-4-6(2)9-10/h6H,3-5H2,1-2H3
InChIKeyOLLFKKGATIXJSN-UHFFFAOYSA-N
XLogP2.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Dioxaphosphorinane, 2-chloro-4-methyl-
CID 138736
1,3,2-Dioxaphosphorinane, 2-methoxy-
CID 141621
Phosphorochloridic acid, cyclic 1,3-dimethyltrimethylene ester
CID 112009
2-Methoxy-4-methyl-1,3,2-dioxaphosphorinane
CID 141852
2-Ethoxy-1,3,2-dioxaphosphinane
CID 13143342
4-Methyl-1,3,2-dioxaphosphorinane
CID 16694820
2-Methoxy-4,6-dimethyl-1,3,2-dioxaphosphinane
CID 139069
2,4-Dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 12545028
2-Fluoro-4-methyl-1,3,2-dioxaphosphinane
CID 12730251
2,4,6-Trimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 23418652
2,4-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 132073990
(2R*,4S*)-2,4-Dimethyl-[1,3,2]dioxaphosphinane 2-oxide
CID 12545030

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-1,3,2-dioxaphosphinane?
The IUPAC name of 2-ethoxy-4-methyl-1,3,2-dioxaphosphinane (CID 12911267) is 2-ethoxy-4-methyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-ethoxy-4-methyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-ethoxy-4-methyl-1,3,2-dioxaphosphinane is CCOP1OCCC(C)O1.
What is the InChIKey of 2-ethoxy-4-methyl-1,3,2-dioxaphosphinane?
The InChIKey is OLLFKKGATIXJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-3-7-10-8-5-4-6(2)9-10/h6H,3-5H2,1-2H3.
What are the key properties of 2-ethoxy-4-methyl-1,3,2-dioxaphosphinane?
2-ethoxy-4-methyl-1,3,2-dioxaphosphinane has a molecular weight of 164.14 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 12911267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).