9,9-dimethylbicyclo[4.3.1]decane-3,10-dione

C12H18O2 — CID 100914264

IUPAC9,9-dimethylbicyclo[4.3.1]decane-3,10-dione
SMILESCC1(C)CCC2CCC(=O)CC1C2=O
InChIInChI=1S/C12H18O2/c1-12(2)6-5-8-3-4-9(13)7-10(12)11(8)14/h8,10H,3-7H2,1-2H3
InChIKeySFWXJHQLTBRAQF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.36
Rot. Bonds

About 9,9-dimethylbicyclo[4.3.1]decane-3,10-dione

9,9-dimethylbicyclo[4.3.1]decane-3,10-dione (PubChem CID 100914264) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 9,9-dimethylbicyclo[4.3.1]decane-3,10-dione.

Molecular Properties

Compound Name9,9-dimethylbicyclo[4.3.1]decane-3,10-dione
PubChem CID100914264
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name9,9-dimethylbicyclo[4.3.1]decane-3,10-dione
SMILESCC1(C)CCC2CCC(=O)CC1C2=O
InChIInChI=1S/C12H18O2/c1-12(2)6-5-8-3-4-9(13)7-10(12)11(8)14/h8,10H,3-7H2,1-2H3
InChIKeySFWXJHQLTBRAQF-UHFFFAOYSA-N
XLogP2.36
TPSA34.14 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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylbicyclo[4.3.1]decane-3,10-dione?
The IUPAC name of 9,9-dimethylbicyclo[4.3.1]decane-3,10-dione (CID 100914264) is 9,9-dimethylbicyclo[4.3.1]decane-3,10-dione.
What is the SMILES notation for 9,9-dimethylbicyclo[4.3.1]decane-3,10-dione?
The canonical SMILES for 9,9-dimethylbicyclo[4.3.1]decane-3,10-dione is CC1(C)CCC2CCC(=O)CC1C2=O.
What is the InChIKey of 9,9-dimethylbicyclo[4.3.1]decane-3,10-dione?
The InChIKey is SFWXJHQLTBRAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(2)6-5-8-3-4-9(13)7-10(12)11(8)14/h8,10H,3-7H2,1-2H3.
What are the key properties of 9,9-dimethylbicyclo[4.3.1]decane-3,10-dione?
9,9-dimethylbicyclo[4.3.1]decane-3,10-dione has a molecular weight of 194.27 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylbicyclo[4.3.1]decane-3,10-dione is sourced from PubChem (CID 100914264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).