ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate

C14H16O4 — CID 146232024

IUPACethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate
SMILESCCOC(=O)CC1CCc2cc3c(cc21)OCO3
InChIInChI=1S/C14H16O4/c1-2-16-14(15)6-10-4-3-9-5-12-13(7-11(9)10)18-8-17-12/h5,7,10H,2-4,6,8H2,1H3
InChIKeyXIVZWZMEYDHONJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.40
Rot. Bonds3

About ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate

ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate (PubChem CID 146232024) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate
PubChem CID146232024
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Nameethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate
SMILESCCOC(=O)CC1CCc2cc3c(cc21)OCO3
InChIInChI=1S/C14H16O4/c1-2-16-14(15)6-10-4-3-9-5-12-13(7-11(9)10)18-8-17-12/h5,7,10H,2-4,6,8H2,1H3
InChIKeyXIVZWZMEYDHONJ-UHFFFAOYSA-N
XLogP2.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate?
The IUPAC name of ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate (CID 146232024) is ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate.
What is the SMILES notation for ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate?
The canonical SMILES for ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate is CCOC(=O)CC1CCc2cc3c(cc21)OCO3.
What is the InChIKey of ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate?
The InChIKey is XIVZWZMEYDHONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-2-16-14(15)6-10-4-3-9-5-12-13(7-11(9)10)18-8-17-12/h5,7,10H,2-4,6,8H2,1H3.
What are the key properties of ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate?
ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate has a molecular weight of 248.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate is sourced from PubChem (CID 146232024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).