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

C8H13O5P — CID 171433792

IUPAC2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide
SMILESC=CC1COC(OP2(=O)CCCO2)O1
InChIInChI=1S/C8H13O5P/c1-2-7-6-10-8(12-7)13-14(9)5-3-4-11-14/h2,7-8H,1,3-6H2
InChIKeyZMKNBPNDKNPEAW-UHFFFAOYSA-N
MW220.16 g/mol
LogP1.50
Rot. Bonds3

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

2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide (PubChem CID 171433792) has the molecular formula C8H13O5P and a molecular weight of 220.16 g/mol. Its IUPAC name is 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide.

Molecular Properties

Compound Name2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide
PubChem CID171433792
Molecular FormulaC8H13O5P
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide
SMILESC=CC1COC(OP2(=O)CCCO2)O1
InChIInChI=1S/C8H13O5P/c1-2-7-6-10-8(12-7)13-14(9)5-3-4-11-14/h2,7-8H,1,3-6H2
InChIKeyZMKNBPNDKNPEAW-UHFFFAOYSA-N
XLogP1.50
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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]-1,2λ5-oxaphospholane 2-oxide?
The IUPAC name of 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide (CID 171433792) is 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide.
What is the SMILES notation for 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide?
The canonical SMILES for 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide is C=CC1COC(OP2(=O)CCCO2)O1.
What is the InChIKey of 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide?
The InChIKey is ZMKNBPNDKNPEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O5P/c1-2-7-6-10-8(12-7)13-14(9)5-3-4-11-14/h2,7-8H,1,3-6H2.
What are the key properties of 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide?
2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide has a molecular weight of 220.16 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenyl-1,3-dioxolan-2-yl)oxy]-1,2λ5-oxaphospholane 2-oxide is sourced from PubChem (CID 171433792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).