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

C9H11O7P — CID 169009573

IUPAC4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1/C=C/OP1(=O)OCCO1
InChIInChI=1S/C9H11O7P/c1-2-7-8(16-9(10)15-7)3-4-12-17(11)13-5-6-14-17/h2-4,7-8H,1,5-6H2/b4-3+
InChIKeyZHVQUTVRLTZIAU-ONEGZZNKSA-N
MW262.15 g/mol
LogP1.76
Rot. Bonds4

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

4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one (PubChem CID 169009573) has the molecular formula C9H11O7P and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one
PubChem CID169009573
Molecular FormulaC9H11O7P
Molecular Weight262.15 g/mol
Exact Mass262.02
IUPAC Name4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1/C=C/OP1(=O)OCCO1
InChIInChI=1S/C9H11O7P/c1-2-7-8(16-9(10)15-7)3-4-12-17(11)13-5-6-14-17/h2-4,7-8H,1,5-6H2/b4-3+
InChIKeyZHVQUTVRLTZIAU-ONEGZZNKSA-N
XLogP1.76
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one
CID 169009552
4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one
CID 169009571
2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 11593484
2-ethenyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 23343607
(3S,4S)-4-ethenyl-3-methyloxetan-2-one
CID 102065202
3-ethenyloxiran-2-one
CID 19389249
1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride
CID 175258508
(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate
CID 18353915
4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one
CID 67427940
4-prop-2-enyl-1,3-dioxetan-2-one
CID 172773496
prop-2-ynyl 5-ethenyl-2-oxo-1,3-dioxolane-4-carboxylate
CID 122643653
(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one
CID 11084541

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one (CID 169009573) is 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one is C=CC1OC(=O)OC1/C=C/OP1(=O)OCCO1.
What is the InChIKey of 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one?
The InChIKey is ZHVQUTVRLTZIAU-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H11O7P/c1-2-7-8(16-9(10)15-7)3-4-12-17(11)13-5-6-14-17/h2-4,7-8H,1,5-6H2/b4-3+.
What are the key properties of 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one?
4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one has a molecular weight of 262.15 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 169009573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).