1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone

C12H18O2 — CID 12838695

IUPAC1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone
SMILESCC(=O)C1=C(C)OC2(CCCCC2)C1
InChIInChI=1S/C12H18O2/c1-9(13)11-8-12(14-10(11)2)6-4-3-5-7-12/h3-8H2,1-2H3
InChIKeySZQFXDSMGFEDIC-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.97
Rot. Bonds1

About 1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone

1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone (PubChem CID 12838695) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone
PubChem CID12838695
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone
SMILESCC(=O)C1=C(C)OC2(CCCCC2)C1
InChIInChI=1S/C12H18O2/c1-9(13)11-8-12(14-10(11)2)6-4-3-5-7-12/h3-8H2,1-2H3
InChIKeySZQFXDSMGFEDIC-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone (CID 12838695) is 1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone is CC(=O)C1=C(C)OC2(CCCCC2)C1.
What is the InChIKey of 1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone?
The InChIKey is SZQFXDSMGFEDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(13)11-8-12(14-10(11)2)6-4-3-5-7-12/h3-8H2,1-2H3.
What are the key properties of 1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone?
1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone has a molecular weight of 194.27 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone is sourced from PubChem (CID 12838695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).