3-oxaspiro[5.5]undecan-11-one

C10H16O2 — CID 67950949

IUPAC3-oxaspiro[5.5]undecan-11-one
SMILESO=C1CCCCC12CCOCC2
InChIInChI=1S/C10H16O2/c11-9-3-1-2-4-10(9)5-7-12-8-6-10/h1-8H2
InChIKeyZSACKQJKNDFANK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.93
Rot. Bonds

About 3-oxaspiro[5.5]undecan-11-one

3-oxaspiro[5.5]undecan-11-one (PubChem CID 67950949) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-oxaspiro[5.5]undecan-11-one.

Molecular Properties

Compound Name3-oxaspiro[5.5]undecan-11-one
PubChem CID67950949
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-oxaspiro[5.5]undecan-11-one
SMILESO=C1CCCCC12CCOCC2
InChIInChI=1S/C10H16O2/c11-9-3-1-2-4-10(9)5-7-12-8-6-10/h1-8H2
InChIKeyZSACKQJKNDFANK-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.93
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]undecan-11-one?
The IUPAC name of 3-oxaspiro[5.5]undecan-11-one (CID 67950949) is 3-oxaspiro[5.5]undecan-11-one.
What is the SMILES notation for 3-oxaspiro[5.5]undecan-11-one?
The canonical SMILES for 3-oxaspiro[5.5]undecan-11-one is O=C1CCCCC12CCOCC2.
What is the InChIKey of 3-oxaspiro[5.5]undecan-11-one?
The InChIKey is ZSACKQJKNDFANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-9-3-1-2-4-10(9)5-7-12-8-6-10/h1-8H2.
What are the key properties of 3-oxaspiro[5.5]undecan-11-one?
3-oxaspiro[5.5]undecan-11-one has a molecular weight of 168.24 g/mol, XLogP of 1.93, 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]undecan-11-one is sourced from PubChem (CID 67950949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).