4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one

C12H18O2 — CID 2836707

IUPAC4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one
SMILESCC1(C)CC2(C=CC(=O)CC2)CCO1
InChIInChI=1S/C12H18O2/c1-11(2)9-12(7-8-14-11)5-3-10(13)4-6-12/h3,5H,4,6-9H2,1-2H3
InChIKeyGVGDFGBIVDIXPA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.48
Rot. Bonds

About 4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one

4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one (PubChem CID 2836707) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one.

Molecular Properties

Compound Name4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one
PubChem CID2836707
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one
SMILESCC1(C)CC2(C=CC(=O)CC2)CCO1
InChIInChI=1S/C12H18O2/c1-11(2)9-12(7-8-14-11)5-3-10(13)4-6-12/h3,5H,4,6-9H2,1-2H3
InChIKeyGVGDFGBIVDIXPA-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one?
The IUPAC name of 4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one (CID 2836707) is 4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one.
What is the SMILES notation for 4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one?
The canonical SMILES for 4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one is CC1(C)CC2(C=CC(=O)CC2)CCO1.
What is the InChIKey of 4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one?
The InChIKey is GVGDFGBIVDIXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-11(2)9-12(7-8-14-11)5-3-10(13)4-6-12/h3,5H,4,6-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one?
4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one has a molecular weight of 194.27 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one is sourced from PubChem (CID 2836707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).