2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide

C7H15O5P — CID 13349931

IUPAC2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide
SMILESCCOC(OCC)P1(=O)OCCO1
InChIInChI=1S/C7H15O5P/c1-3-9-7(10-4-2)13(8)11-5-6-12-13/h7H,3-6H2,1-2H3
InChIKeyVJQMRXUKMIUYCB-UHFFFAOYSA-N
MW210.17 g/mol
LogP1.58
Rot. Bonds5

About 2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide

2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide (PubChem CID 13349931) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is 2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide
PubChem CID13349931
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Name2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide
SMILESCCOC(OCC)P1(=O)OCCO1
InChIInChI=1S/C7H15O5P/c1-3-9-7(10-4-2)13(8)11-5-6-12-13/h7H,3-6H2,1-2H3
InChIKeyVJQMRXUKMIUYCB-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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide?
The IUPAC name of 2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide (CID 13349931) is 2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide is CCOC(OCC)P1(=O)OCCO1.
What is the InChIKey of 2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide?
The InChIKey is VJQMRXUKMIUYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P/c1-3-9-7(10-4-2)13(8)11-5-6-12-13/h7H,3-6H2,1-2H3.
What are the key properties of 2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide?
2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 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-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide is sourced from PubChem (CID 13349931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).