(1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one

C8H10O3 — CID 10441892

IUPAC(1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one
SMILESCC[C@]12OC[C@H](C=CC1=O)O2
InChIInChI=1S/C8H10O3/c1-2-8-7(9)4-3-6(11-8)5-10-8/h3-4,6H,2,5H2,1H3/t6-,8+/m0/s1
InChIKeyWWFDNWZHIJSAIF-POYBYMJQSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds1

About (1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one

(1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one (PubChem CID 10441892) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one.

Molecular Properties

Compound Name(1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one
PubChem CID10441892
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one
SMILESCC[C@]12OC[C@H](C=CC1=O)O2
InChIInChI=1S/C8H10O3/c1-2-8-7(9)4-3-6(11-8)5-10-8/h3-4,6H,2,5H2,1H3/t6-,8+/m0/s1
InChIKeyWWFDNWZHIJSAIF-POYBYMJQSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one?
The IUPAC name of (1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one (CID 10441892) is (1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one.
What is the SMILES notation for (1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one?
The canonical SMILES for (1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one is CC[C@]12OC[C@H](C=CC1=O)O2.
What is the InChIKey of (1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one?
The InChIKey is WWFDNWZHIJSAIF-POYBYMJQSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-8-7(9)4-3-6(11-8)5-10-8/h3-4,6H,2,5H2,1H3/t6-,8+/m0/s1.
What are the key properties of (1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one?
(1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one has a molecular weight of 154.16 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-5-ethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one is sourced from PubChem (CID 10441892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).