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

C7H15O5P — CID 19612310

IUPAC2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCOCCOP1(=O)OCCCO1
InChIInChI=1S/C7H15O5P/c1-2-9-6-7-12-13(8)10-4-3-5-11-13/h2-7H2,1H3
InChIKeyJEADUUABNMKLQB-UHFFFAOYSA-N
MW210.17 g/mol
LogP1.58
Rot. Bonds5

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

2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 19612310) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID19612310
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Name2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCOCCOP1(=O)OCCCO1
InChIInChI=1S/C7H15O5P/c1-2-9-6-7-12-13(8)10-4-3-5-11-13/h2-7H2,1H3
InChIKeyJEADUUABNMKLQB-UHFFFAOYSA-N
XLogP1.58
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 51.58
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

1,3,2-Dioxaphosphorinane, 2-methoxy-, 2-oxide
CID 9793856
Ethanol, 2-(2-ethoxyethoxy)-, phosphate
CID 20026930
2-Propoxyethyl dihydrogen phosphate
CID 23621600
1,3,2-Dioxaphosphorinane, 2-ethoxy-, 2-oxide
CID 13181701
CID 19389417
CID 19389417
2-(1-Ethoxyethyl)-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 54421653
Phosphonic acid, 1,4-dioxan-2-yl-, dimethyl ester
CID 12308571
5-Ethoxy-1,3,2-dioxaphosphinan-2-ium 2-oxide
CID 19816820
(5-Methyl-1,4-dioxan-2-yl)methyl dihydrogen phosphate
CID 23129648
5-Ethoxy-2-hydroxy-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 53872995
2-Propoxy-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 53951399
1,4-Dioxan-2-ylmethyl dihydrogen phosphate
CID 56621279

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide (CID 19612310) is 2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide is CCOCCOP1(=O)OCCCO1.
What is the InChIKey of 2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is JEADUUABNMKLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P/c1-2-9-6-7-12-13(8)10-4-3-5-11-13/h2-7H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide?
2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 210.17 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 19612310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).