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

C7H11O7P — CID 169009553

IUPAC2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide
SMILESC=CC1COC(OOP2(=O)OCCO2)O1
InChIInChI=1S/C7H11O7P/c1-2-6-5-9-7(12-6)13-14-15(8)10-3-4-11-15/h2,6-7H,1,3-5H2
InChIKeyZKRLAOIOCWHPDY-UHFFFAOYSA-N
MW238.13 g/mol
LogP0.97
Rot. Bonds4

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

2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 169009553) has the molecular formula C7H11O7P and a molecular weight of 238.13 g/mol. Its IUPAC name is 2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID169009553
Molecular FormulaC7H11O7P
Molecular Weight238.13 g/mol
Exact Mass238.02
IUPAC Name2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide
SMILESC=CC1COC(OOP2(=O)OCCO2)O1
InChIInChI=1S/C7H11O7P/c1-2-6-5-9-7(12-6)13-14-15(8)10-3-4-11-15/h2,6-7H,1,3-5H2
InChIKeyZKRLAOIOCWHPDY-UHFFFAOYSA-N
XLogP0.97
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', '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)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide (CID 169009553) is 2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide is C=CC1COC(OOP2(=O)OCCO2)O1.
What is the InChIKey of 2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is ZKRLAOIOCWHPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O7P/c1-2-6-5-9-7(12-6)13-14-15(8)10-3-4-11-15/h2,6-7H,1,3-5H2.
What are the key properties of 2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide?
2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 238.13 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenyl-1,3-dioxolan-2-yl)peroxy]-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 169009553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).