4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one

C8H10O4 — CID 91192097

IUPAC4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one
SMILESC=C(OC)C1OC(=O)OC1=CC
InChIInChI=1S/C8H10O4/c1-4-6-7(5(2)10-3)12-8(9)11-6/h4,7H,2H2,1,3H3
InChIKeyAWKPIVORNIUSKE-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.59
Rot. Bonds2

About 4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one

4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one (PubChem CID 91192097) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one
PubChem CID91192097
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one
SMILESC=C(OC)C1OC(=O)OC1=CC
InChIInChI=1S/C8H10O4/c1-4-6-7(5(2)10-3)12-8(9)11-6/h4,7H,2H2,1,3H3
InChIKeyAWKPIVORNIUSKE-UHFFFAOYSA-N
XLogP1.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-fluoropent-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one
CID 169926902
4-[(E)-but-1-enyl]-1,3-dioxolan-2-one
CID 23361409
4-[(E)-prop-1-enyl]-1,3-dioxolan-2-one
CID 23361415
4-But-1-enyl-1,3-dioxolan-2-one
CID 54143816
4-Prop-1-enyl-1,3-dioxolan-2-one
CID 54292852
4-Ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one
CID 54430177
[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate
CID 57179833
2,5,6,6a-Tetrahydrofuro[3,2-b]furan-6-yl methyl carbonate
CID 57667599
4-[(2-Oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 59083879
(5Z)-4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 59083880
4-[(Z)-prop-1-enyl]-1,3-dioxolan-2-one
CID 67716206
Tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate
CID 68562569

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one (CID 91192097) is 4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one is C=C(OC)C1OC(=O)OC1=CC.
What is the InChIKey of 4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one?
The InChIKey is AWKPIVORNIUSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-4-6-7(5(2)10-3)12-8(9)11-6/h4,7H,2H2,1,3H3.
What are the key properties of 4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one?
4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one has a molecular weight of 170.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 91192097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).