(6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one

C12H18O2 — CID 2288420

IUPAC(6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one
SMILESCC1(C)C[C@@]2(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/t12-/m1/s1
InChIKeyGVGDFGBIVDIXPA-GFCCVEGCSA-N
MW194.27 g/mol
LogP2.48
Rot. Bonds

About (6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one

(6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one (PubChem CID 2288420) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one.

Molecular Properties

Compound Name(6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one
PubChem CID2288420
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one
SMILESCC1(C)C[C@@]2(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/t12-/m1/s1
InChIKeyGVGDFGBIVDIXPA-GFCCVEGCSA-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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Related Compounds

(1S,5E,11S)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodec-5-en-4-one
CID 10013814
(1S,5R)-1-(ethoxymethyl)-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-one
CID 127041223
Mikaniahumulene I
CID 100948845
2,2-Dimethyl-3-oxaspiro[5.5]undec-7-EN-9-one
CID 2836707
4-(2-Methoxyethyl)-4-methylcyclohex-2-en-1-one
CID 142374861
3-[(1S)-4-oxo-1-prop-2-enylcyclohex-2-en-1-yl]propyl 2,2-dimethylpropanoate
CID 10660251
4-((3,3-Dimethyloxiran-2-yl)methyl)-4-methylcyclohex-2-en-1-one
CID 10726479
4-(2-(3,3-Dimethyloxiran-2-yl)ethyl)-4-methylcyclohex-2-en-1-one
CID 162786795
4-Methyl-4-((2-methyloxiran-2-yl)methyl)cyclohex-2-en-1-one
CID 162786808
7-((3,3-dimethyloxiran-2-yl)methyl)-7-methyl-1,2,3,7-tetrahydro-4H-inden-4-one
CID 162786820
2-Oxabicyclo[4.4.0]dec-9-en-8-one, 1,3,7,7-tetramethyl-, (-)-(1R,3S,6R)-
CID 550252
Ethyl 3-(1-methyl-4-oxocyclohex-2-en-1-yl)propanoate
CID 14467644

Frequently Asked Questions

What is the IUPAC name of (6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one?
The IUPAC name of (6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one (CID 2288420) is (6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one.
What is the SMILES notation for (6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one?
The canonical SMILES for (6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one is CC1(C)C[C@@]2(C=CC(=O)CC2)CCO1.
What is the InChIKey of (6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one?
The InChIKey is GVGDFGBIVDIXPA-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of (6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one?
(6S)-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 (6S)-4,4-dimethyl-3-oxaspiro[5.5]undec-10-en-9-one is sourced from PubChem (CID 2288420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).