2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C9H19O5P — CID 59356187

IUPAC2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCOCCOP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H19O5P/c1-4-11-5-6-12-15(10)13-7-9(2,3)8-14-15/h4-8H2,1-3H3
InChIKeyKHRCCNKCRLEIBH-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.22
Rot. Bonds5

About 2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 59356187) has the molecular formula C9H19O5P and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID59356187
Molecular FormulaC9H19O5P
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Name2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCOCCOP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H19O5P/c1-4-11-5-6-12-15(10)13-7-9(2,3)8-14-15/h4-8H2,1-3H3
InChIKeyKHRCCNKCRLEIBH-UHFFFAOYSA-N
XLogP2.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate
CID 371770
2-Butoxy-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 70914809
1,3,2-Dioxaphosphorinane, 2-(2-methoxyethoxy)-5,5-dimethyl-, 2-oxide
CID 547076
1,3,2-Dioxaphosphorinane, 2-(2-methoxyethoxy)-5,5-dimethyl-
CID 591931
2-(2-Ethoxyethoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 19612310
2-(2,2-Dimethylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 57540857
5,5-Dimethyl-2-(2-propoxyethyl)-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 57957038
2-(2-Butoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 59356188
2-[2-[2-[2-(2,2-Dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 87083986
5,5-Dimethyl-2-(1-propoxyethyl)-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 87163824
2-Butoxyethyl 2,2-dimethylpropyl hydrogen phosphate
CID 87434451
2,2-Dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate
CID 87720487

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 59356187) is 2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CCOCCOP1(=O)OCC(C)(C)CO1.
What is the InChIKey of 2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is KHRCCNKCRLEIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O5P/c1-4-11-5-6-12-15(10)13-7-9(2,3)8-14-15/h4-8H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 238.22 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 59356187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).