1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate

C12H16O4 — CID 10105023

IUPAC1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate
SMILESC=C(OC(C)=O)C1=CCC2OC(C)(C)OC12
InChIInChI=1S/C12H16O4/c1-7(14-8(2)13)9-5-6-10-11(9)16-12(3,4)15-10/h5,10-11H,1,6H2,2-4H3
InChIKeySJBQNQBAWPSSEN-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.91
Rot. Bonds2

About 1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate

1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate (PubChem CID 10105023) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate.

Molecular Properties

Compound Name1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate
PubChem CID10105023
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate
SMILESC=C(OC(C)=O)C1=CCC2OC(C)(C)OC12
InChIInChI=1S/C12H16O4/c1-7(14-8(2)13)9-5-6-10-11(9)16-12(3,4)15-10/h5,10-11H,1,6H2,2-4H3
InChIKeySJBQNQBAWPSSEN-UHFFFAOYSA-N
XLogP1.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate?
The IUPAC name of 1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate (CID 10105023) is 1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate.
What is the SMILES notation for 1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate?
The canonical SMILES for 1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate is C=C(OC(C)=O)C1=CCC2OC(C)(C)OC12.
What is the InChIKey of 1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate?
The InChIKey is SJBQNQBAWPSSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7(14-8(2)13)9-5-6-10-11(9)16-12(3,4)15-10/h5,10-11H,1,6H2,2-4H3.
What are the key properties of 1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate?
1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate has a molecular weight of 224.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethenyl acetate is sourced from PubChem (CID 10105023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).