3-oxaspiro[5.5]undec-8-en-10-one

C10H14O2 — CID 57023690

IUPAC3-oxaspiro[5.5]undec-8-en-10-one
SMILESO=C1C=CCC2(CCOCC2)C1
InChIInChI=1S/C10H14O2/c11-9-2-1-3-10(8-9)4-6-12-7-5-10/h1-2H,3-8H2
InChIKeyDNGPNLQKYZKJNL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.70
Rot. Bonds

About 3-oxaspiro[5.5]undec-8-en-10-one

3-oxaspiro[5.5]undec-8-en-10-one (PubChem CID 57023690) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-oxaspiro[5.5]undec-8-en-10-one.

Molecular Properties

Compound Name3-oxaspiro[5.5]undec-8-en-10-one
PubChem CID57023690
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-oxaspiro[5.5]undec-8-en-10-one
SMILESO=C1C=CCC2(CCOCC2)C1
InChIInChI=1S/C10H14O2/c11-9-2-1-3-10(8-9)4-6-12-7-5-10/h1-2H,3-8H2
InChIKeyDNGPNLQKYZKJNL-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxaspiro[5.5]undec-8-en-10-one?
The IUPAC name of 3-oxaspiro[5.5]undec-8-en-10-one (CID 57023690) is 3-oxaspiro[5.5]undec-8-en-10-one.
What is the SMILES notation for 3-oxaspiro[5.5]undec-8-en-10-one?
The canonical SMILES for 3-oxaspiro[5.5]undec-8-en-10-one is O=C1C=CCC2(CCOCC2)C1.
What is the InChIKey of 3-oxaspiro[5.5]undec-8-en-10-one?
The InChIKey is DNGPNLQKYZKJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-2-1-3-10(8-9)4-6-12-7-5-10/h1-2H,3-8H2.
What are the key properties of 3-oxaspiro[5.5]undec-8-en-10-one?
3-oxaspiro[5.5]undec-8-en-10-one has a molecular weight of 166.22 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxaspiro[5.5]undec-8-en-10-one is sourced from PubChem (CID 57023690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).