2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide

C7H11O6P — CID 169009567

IUPAC2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide
SMILESC=CC1COC(OP2(=O)OCCO2)O1
InChIInChI=1S/C7H11O6P/c1-2-6-5-9-7(12-6)13-14(8)10-3-4-11-14/h2,6-7H,1,3-5H2
InChIKeyGJTTYONOVYHBRJ-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.04
Rot. Bonds3

About 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide

2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 169009567) has the molecular formula C7H11O6P and a molecular weight of 222.13 g/mol. Its IUPAC name is 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID169009567
Molecular FormulaC7H11O6P
Molecular Weight222.13 g/mol
Exact Mass222.03
IUPAC Name2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide
SMILESC=CC1COC(OP2(=O)OCCO2)O1
InChIInChI=1S/C7H11O6P/c1-2-6-5-9-7(12-6)13-14(8)10-3-4-11-14/h2,6-7H,1,3-5H2
InChIKeyGJTTYONOVYHBRJ-UHFFFAOYSA-N
XLogP1.04
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide (CID 169009567) is 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide is C=CC1COC(OP2(=O)OCCO2)O1.
What is the InChIKey of 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is GJTTYONOVYHBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O6P/c1-2-6-5-9-7(12-6)13-14(8)10-3-4-11-14/h2,6-7H,1,3-5H2.
What are the key properties of 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide?
2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 222.13 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 169009567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).