1-oxaspiro[4.5]decan-6-yl acetate

C11H18O3 — CID 67155692

IUPAC1-oxaspiro[4.5]decan-6-yl acetate
SMILESCC(=O)OC1CCCCC12CCCO2
InChIInChI=1S/C11H18O3/c1-9(12)14-10-5-2-3-6-11(10)7-4-8-13-11/h10H,2-8H2,1H3
InChIKeyWRKOURFRDSXQNU-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.04
Rot. Bonds1

About 1-oxaspiro[4.5]decan-6-yl acetate

1-oxaspiro[4.5]decan-6-yl acetate (PubChem CID 67155692) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-oxaspiro[4.5]decan-6-yl acetate.

Molecular Properties

Compound Name1-oxaspiro[4.5]decan-6-yl acetate
PubChem CID67155692
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-oxaspiro[4.5]decan-6-yl acetate
SMILESCC(=O)OC1CCCCC12CCCO2
InChIInChI=1S/C11H18O3/c1-9(12)14-10-5-2-3-6-11(10)7-4-8-13-11/h10H,2-8H2,1H3
InChIKeyWRKOURFRDSXQNU-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]decan-6-yl acetate?
The IUPAC name of 1-oxaspiro[4.5]decan-6-yl acetate (CID 67155692) is 1-oxaspiro[4.5]decan-6-yl acetate.
What is the SMILES notation for 1-oxaspiro[4.5]decan-6-yl acetate?
The canonical SMILES for 1-oxaspiro[4.5]decan-6-yl acetate is CC(=O)OC1CCCCC12CCCO2.
What is the InChIKey of 1-oxaspiro[4.5]decan-6-yl acetate?
The InChIKey is WRKOURFRDSXQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-9(12)14-10-5-2-3-6-11(10)7-4-8-13-11/h10H,2-8H2,1H3.
What are the key properties of 1-oxaspiro[4.5]decan-6-yl acetate?
1-oxaspiro[4.5]decan-6-yl acetate has a molecular weight of 198.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]decan-6-yl acetate is sourced from PubChem (CID 67155692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).