1-oxaspiro[5.5]undecan-9-one

C10H16O2 — CID 68740094

IUPAC1-oxaspiro[5.5]undecan-9-one
SMILESO=C1CCC2(CCCCO2)CC1
InChIInChI=1S/C10H16O2/c11-9-3-6-10(7-4-9)5-1-2-8-12-10/h1-8H2
InChIKeyVXIVATBWBJCTFQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.07
Rot. Bonds

About 1-oxaspiro[5.5]undecan-9-one

1-oxaspiro[5.5]undecan-9-one (PubChem CID 68740094) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-oxaspiro[5.5]undecan-9-one.

Molecular Properties

Compound Name1-oxaspiro[5.5]undecan-9-one
PubChem CID68740094
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-oxaspiro[5.5]undecan-9-one
SMILESO=C1CCC2(CCCCO2)CC1
InChIInChI=1S/C10H16O2/c11-9-3-6-10(7-4-9)5-1-2-8-12-10/h1-8H2
InChIKeyVXIVATBWBJCTFQ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.5]undecan-9-one?
The IUPAC name of 1-oxaspiro[5.5]undecan-9-one (CID 68740094) is 1-oxaspiro[5.5]undecan-9-one.
What is the SMILES notation for 1-oxaspiro[5.5]undecan-9-one?
The canonical SMILES for 1-oxaspiro[5.5]undecan-9-one is O=C1CCC2(CCCCO2)CC1.
What is the InChIKey of 1-oxaspiro[5.5]undecan-9-one?
The InChIKey is VXIVATBWBJCTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-9-3-6-10(7-4-9)5-1-2-8-12-10/h1-8H2.
What are the key properties of 1-oxaspiro[5.5]undecan-9-one?
1-oxaspiro[5.5]undecan-9-one has a molecular weight of 168.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.5]undecan-9-one is sourced from PubChem (CID 68740094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).