(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate

C11H14O5 — CID 58143210

IUPAC(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate
SMILESCCC(=O)OC1CC2OC1C1C(=O)OCC21
InChIInChI=1S/C11H14O5/c1-2-8(12)15-7-3-6-5-4-14-11(13)9(5)10(7)16-6/h5-7,9-10H,2-4H2,1H3
InChIKeyFWEQRQIGECKTBK-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.27
Rot. Bonds2

About (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate

(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate (PubChem CID 58143210) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate.

Molecular Properties

Compound Name(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate
PubChem CID58143210
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate
SMILESCCC(=O)OC1CC2OC1C1C(=O)OCC21
InChIInChI=1S/C11H14O5/c1-2-8(12)15-7-3-6-5-4-14-11(13)9(5)10(7)16-6/h5-7,9-10H,2-4H2,1H3
InChIKeyFWEQRQIGECKTBK-UHFFFAOYSA-N
XLogP0.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate?
The IUPAC name of (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate (CID 58143210) is (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate.
What is the SMILES notation for (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate?
The canonical SMILES for (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate is CCC(=O)OC1CC2OC1C1C(=O)OCC21.
What is the InChIKey of (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate?
The InChIKey is FWEQRQIGECKTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-2-8(12)15-7-3-6-5-4-14-11(13)9(5)10(7)16-6/h5-7,9-10H,2-4H2,1H3.
What are the key properties of (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate?
(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate has a molecular weight of 226.23 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) propanoate is sourced from PubChem (CID 58143210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).