8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one

C12H18O2 — CID 64754425

IUPAC8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one
SMILESCC1CCC(C)C2(CC(=O)C=CO2)C1
InChIInChI=1S/C12H18O2/c1-9-3-4-10(2)12(7-9)8-11(13)5-6-14-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyNBOTUYQTXDQKEZ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.68
Rot. Bonds

About 8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one

8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one (PubChem CID 64754425) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one.

Molecular Properties

Compound Name8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one
PubChem CID64754425
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one
SMILESCC1CCC(C)C2(CC(=O)C=CO2)C1
InChIInChI=1S/C12H18O2/c1-9-3-4-10(2)12(7-9)8-11(13)5-6-14-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyNBOTUYQTXDQKEZ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3-Trimethylspiro(bicyclo(2.2.1)heptane-2,2'-(2H)pyran)-4'(3'H)-one
CID 44147994
9-Tert-butyl-1-oxaspiro[5.5]undec-2-en-4-one
CID 16749759
9-Methyl-1-oxaspiro[5.5]undec-2-en-4-one
CID 16749760
11-Methyl-1-oxaspiro[5.5]undec-2-en-4-one
CID 16749761
10-Methyl-1-oxaspiro[5.5]undec-2-en-4-one
CID 16749762
2-[[(2S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-yl]methyl]-2,3-dihydropyran-4-one
CID 58932828
1-[(2S,6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-yl]hept-6-en-2-one
CID 58932905
1-(8-Methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-yl)hept-6-en-2-one
CID 59012160
6-Methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 76542518
4a,5,6,6a,7,8,9,10,10a,10b-Decahydrobenzo[h]chromen-4-one
CID 85440177
5,5a,6,7,8,8a,9,9a-octahydro-4aH-cyclopenta[g]chromen-4-one
CID 90871620
Methane;10-methyl-1-oxaspiro[5.5]undec-2-en-4-one
CID 157745669

Frequently Asked Questions

What is the IUPAC name of 8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one?
The IUPAC name of 8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one (CID 64754425) is 8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one.
What is the SMILES notation for 8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one?
The canonical SMILES for 8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one is CC1CCC(C)C2(CC(=O)C=CO2)C1.
What is the InChIKey of 8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one?
The InChIKey is NBOTUYQTXDQKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-3-4-10(2)12(7-9)8-11(13)5-6-14-12/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one?
8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one has a molecular weight of 194.27 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dimethyl-1-oxaspiro[5.5]undec-2-en-4-one is sourced from PubChem (CID 64754425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).