spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one

C10H14O2 — CID 71757064

IUPACspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one
SMILESO=C1C2CCOC2C12CCCC2
InChIInChI=1S/C10H14O2/c11-8-7-3-6-12-9(7)10(8)4-1-2-5-10/h7,9H,1-6H2
InChIKeyFNAOMPNFIBVSGB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.53
Rot. Bonds

About spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one

spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one (PubChem CID 71757064) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one.

Molecular Properties

Compound Namespiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one
PubChem CID71757064
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namespiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one
SMILESO=C1C2CCOC2C12CCCC2
InChIInChI=1S/C10H14O2/c11-8-7-3-6-12-9(7)10(8)4-1-2-5-10/h7,9H,1-6H2
InChIKeyFNAOMPNFIBVSGB-UHFFFAOYSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one?
The IUPAC name of spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one (CID 71757064) is spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one.
What is the SMILES notation for spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one?
The canonical SMILES for spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one is O=C1C2CCOC2C12CCCC2.
What is the InChIKey of spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one?
The InChIKey is FNAOMPNFIBVSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-8-7-3-6-12-9(7)10(8)4-1-2-5-10/h7,9H,1-6H2.
What are the key properties of spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one?
spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one has a molecular weight of 166.22 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-one is sourced from PubChem (CID 71757064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).