1-oxaspiro[5.5]undecan-11-ol

C10H18O2 — CID 69392634

IUPAC1-oxaspiro[5.5]undecan-11-ol
SMILESOC1CCCCC12CCCCO2
InChIInChI=1S/C10H18O2/c11-9-5-1-2-6-10(9)7-3-4-8-12-10/h9,11H,1-8H2
InChIKeyTVJUJPYNEPJBAX-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.86
Rot. Bonds

About 1-oxaspiro[5.5]undecan-11-ol

1-oxaspiro[5.5]undecan-11-ol (PubChem CID 69392634) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-oxaspiro[5.5]undecan-11-ol.

Molecular Properties

Compound Name1-oxaspiro[5.5]undecan-11-ol
PubChem CID69392634
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-oxaspiro[5.5]undecan-11-ol
SMILESOC1CCCCC12CCCCO2
InChIInChI=1S/C10H18O2/c11-9-5-1-2-6-10(9)7-3-4-8-12-10/h9,11H,1-8H2
InChIKeyTVJUJPYNEPJBAX-UHFFFAOYSA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.5]undecan-11-ol?
The IUPAC name of 1-oxaspiro[5.5]undecan-11-ol (CID 69392634) is 1-oxaspiro[5.5]undecan-11-ol.
What is the SMILES notation for 1-oxaspiro[5.5]undecan-11-ol?
The canonical SMILES for 1-oxaspiro[5.5]undecan-11-ol is OC1CCCCC12CCCCO2.
What is the InChIKey of 1-oxaspiro[5.5]undecan-11-ol?
The InChIKey is TVJUJPYNEPJBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-9-5-1-2-6-10(9)7-3-4-8-12-10/h9,11H,1-8H2.
What are the key properties of 1-oxaspiro[5.5]undecan-11-ol?
1-oxaspiro[5.5]undecan-11-ol has a molecular weight of 170.25 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.5]undecan-11-ol is sourced from PubChem (CID 69392634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).