1-oxaspiro[4.4]non-3-en-4-yl acetate

C10H14O3 — CID 102086973

IUPAC1-oxaspiro[4.4]non-3-en-4-yl acetate
SMILESCC(=O)OC1=CCOC12CCCC2
InChIInChI=1S/C10H14O3/c1-8(11)13-9-4-7-12-10(9)5-2-3-6-10/h4H,2-3,5-7H2,1H3
InChIKeyAWYKLBRUVXFYGT-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.78
Rot. Bonds1

About 1-oxaspiro[4.4]non-3-en-4-yl acetate

1-oxaspiro[4.4]non-3-en-4-yl acetate (PubChem CID 102086973) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-oxaspiro[4.4]non-3-en-4-yl acetate.

Molecular Properties

Compound Name1-oxaspiro[4.4]non-3-en-4-yl acetate
PubChem CID102086973
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-oxaspiro[4.4]non-3-en-4-yl acetate
SMILESCC(=O)OC1=CCOC12CCCC2
InChIInChI=1S/C10H14O3/c1-8(11)13-9-4-7-12-10(9)5-2-3-6-10/h4H,2-3,5-7H2,1H3
InChIKeyAWYKLBRUVXFYGT-UHFFFAOYSA-N
XLogP1.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]non-3-en-4-yl acetate?
The IUPAC name of 1-oxaspiro[4.4]non-3-en-4-yl acetate (CID 102086973) is 1-oxaspiro[4.4]non-3-en-4-yl acetate.
What is the SMILES notation for 1-oxaspiro[4.4]non-3-en-4-yl acetate?
The canonical SMILES for 1-oxaspiro[4.4]non-3-en-4-yl acetate is CC(=O)OC1=CCOC12CCCC2.
What is the InChIKey of 1-oxaspiro[4.4]non-3-en-4-yl acetate?
The InChIKey is AWYKLBRUVXFYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(11)13-9-4-7-12-10(9)5-2-3-6-10/h4H,2-3,5-7H2,1H3.
What are the key properties of 1-oxaspiro[4.4]non-3-en-4-yl acetate?
1-oxaspiro[4.4]non-3-en-4-yl acetate has a molecular weight of 182.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.4]non-3-en-4-yl acetate is sourced from PubChem (CID 102086973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).