4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one

C8H11O7P — CID 169009544

IUPAC4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1COP1(=O)OCCO1
InChIInChI=1S/C8H11O7P/c1-2-6-7(15-8(9)14-6)5-13-16(10)11-3-4-12-16/h2,6-7H,1,3-5H2
InChIKeyDBDLZRYZFVJQBB-UHFFFAOYSA-N
MW250.14 g/mol
LogP1.25
Rot. Bonds4

About 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one

4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one (PubChem CID 169009544) has the molecular formula C8H11O7P and a molecular weight of 250.14 g/mol. Its IUPAC name is 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one
PubChem CID169009544
Molecular FormulaC8H11O7P
Molecular Weight250.14 g/mol
Exact Mass250.02
IUPAC Name4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1COP1(=O)OCCO1
InChIInChI=1S/C8H11O7P/c1-2-6-7(15-8(9)14-6)5-13-16(10)11-3-4-12-16/h2,6-7H,1,3-5H2
InChIKeyDBDLZRYZFVJQBB-UHFFFAOYSA-N
XLogP1.25
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one (CID 169009544) is 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one is C=CC1OC(=O)OC1COP1(=O)OCCO1.
What is the InChIKey of 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one?
The InChIKey is DBDLZRYZFVJQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O7P/c1-2-6-7(15-8(9)14-6)5-13-16(10)11-3-4-12-16/h2,6-7H,1,3-5H2.
What are the key properties of 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one?
4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one has a molecular weight of 250.14 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxymethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 169009544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).