6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one

C13H20O3 — CID 71150844

IUPAC6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
SMILESCCCOC1CC2CC1C1(COC(=O)C1)C2
InChIInChI=1S/C13H20O3/c1-2-3-15-11-5-9-4-10(11)13(6-9)7-12(14)16-8-13/h9-11H,2-8H2,1H3
InChIKeyBCHBOMQZSZXDMK-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.14
Rot. Bonds3

About 6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one

6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one (PubChem CID 71150844) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one.

Molecular Properties

Compound Name6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
PubChem CID71150844
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
SMILESCCCOC1CC2CC1C1(COC(=O)C1)C2
InChIInChI=1S/C13H20O3/c1-2-3-15-11-5-9-4-10(11)13(6-9)7-12(14)16-8-13/h9-11H,2-8H2,1H3
InChIKeyBCHBOMQZSZXDMK-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The IUPAC name of 6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one (CID 71150844) is 6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one.
What is the SMILES notation for 6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The canonical SMILES for 6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one is CCCOC1CC2CC1C1(COC(=O)C1)C2.
What is the InChIKey of 6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
The InChIKey is BCHBOMQZSZXDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-3-15-11-5-9-4-10(11)13(6-9)7-12(14)16-8-13/h9-11H,2-8H2,1H3.
What are the key properties of 6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?
6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one has a molecular weight of 224.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one is sourced from PubChem (CID 71150844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).