(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one

C10H12O — CID 13302880

IUPAC(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one
SMILESC=C1C(=C)[C@H]2CC[C@@H]1CC2=O
InChIInChI=1S/C10H12O/c1-6-7(2)9-4-3-8(6)5-10(9)11/h8-9H,1-5H2/t8-,9-/m1/s1
InChIKeyHGBXCHGMAAYCTD-RKDXNWHRSA-N
MW148.20 g/mol
LogP2.10
Rot. Bonds

About (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one

(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one (PubChem CID 13302880) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one
PubChem CID13302880
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one
SMILESC=C1C(=C)[C@H]2CC[C@@H]1CC2=O
InChIInChI=1S/C10H12O/c1-6-7(2)9-4-3-8(6)5-10(9)11/h8-9H,1-5H2/t8-,9-/m1/s1
InChIKeyHGBXCHGMAAYCTD-RKDXNWHRSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dimethylbicyclo[2.2.2]oct-5-en-2-one
CID 86064761
tricyclo[6.2.2.02,7]dodec-2(7)-en-9-one
CID 71406170
trans-(2S,5R)-2,5-diphenylcyclohexan-1-one
CID 134846189
(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane
CID 50919081
(1R,8R)-4-methyltricyclo[6.2.2.02,7]dodec-2(7)-en-9-one
CID 11424065
7-benzhydrylidenebicyclo[2.2.1]heptan-2-one
CID 13452439
(1S,8R)-5-thiatricyclo[6.2.2.02,6]dodeca-2(6),3-diene-7,9-dione
CID 11063595
5-thiatricyclo[6.2.2.02,6]dodeca-2(6),3-diene-7,9-dione
CID 15834119
bicyclo[2.2.2]octan-2-one;ethane
CID 91487453
2,3a,4,5,5a,6-hexahydro-1H-as-indacen-3-one
CID 145446291
5-chlorobicyclo[2.2.2]oct-5-en-2-one
CID 130030918
tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
CID 575764

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one?
The IUPAC name of (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one (CID 13302880) is (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one.
What is the SMILES notation for (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one?
The canonical SMILES for (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one is C=C1C(=C)[C@H]2CC[C@@H]1CC2=O.
What is the InChIKey of (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one?
The InChIKey is HGBXCHGMAAYCTD-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H12O/c1-6-7(2)9-4-3-8(6)5-10(9)11/h8-9H,1-5H2/t8-,9-/m1/s1.
What are the key properties of (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one?
(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one has a molecular weight of 148.20 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 13302880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).