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

C7H9O7P — CID 169009571

IUPAC4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1OP1(=O)OCCO1
InChIInChI=1S/C7H9O7P/c1-2-5-6(13-7(8)12-5)14-15(9)10-3-4-11-15/h2,5-6H,1,3-4H2
InChIKeyUNHNZGJNCLAKCJ-UHFFFAOYSA-N
MW236.12 g/mol
LogP1.21
Rot. Bonds3

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

4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one (PubChem CID 169009571) has the molecular formula C7H9O7P and a molecular weight of 236.12 g/mol. Its IUPAC name is 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one
PubChem CID169009571
Molecular FormulaC7H9O7P
Molecular Weight236.12 g/mol
Exact Mass236.01
IUPAC Name4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1OP1(=O)OCCO1
InChIInChI=1S/C7H9O7P/c1-2-5-6(13-7(8)12-5)14-15(9)10-3-4-11-15/h2,5-6H,1,3-4H2
InChIKeyUNHNZGJNCLAKCJ-UHFFFAOYSA-N
XLogP1.21
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 51.21
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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Related Compounds

CID 169009530
CID 169009530
CID 169009543
CID 169009543
CID 169009544
CID 169009544
CID 169009552
CID 169009552
CID 169009553
CID 169009553
CID 169009567
CID 169009567
CID 169009573
CID 169009573
CID 171433792
CID 171433792

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one?
The IUPAC name of 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one (CID 169009571) is 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one is C=CC1OC(=O)OC1OP1(=O)OCCO1.
What is the InChIKey of 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one?
The InChIKey is UNHNZGJNCLAKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O7P/c1-2-5-6(13-7(8)12-5)14-15(9)10-3-4-11-15/h2,5-6H,1,3-4H2.
What are the key properties of 4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one?
4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one has a molecular weight of 236.12 g/mol, XLogP of 1.21, 3 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)oxy]-1,3-dioxolan-2-one is sourced from PubChem (CID 169009571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).