1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one

C10H16O — CID 170691417

IUPAC1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one
SMILES[2H]C([2H])([2H])C1(C)C2CCC1(C)C(=O)C2
InChIInChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/i1D3
InChIKeyDSSYKIVIOFKYAU-FIBGUPNXSA-N
MW155.26 g/mol
LogP2.40
Rot. Bonds1

About 1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one

1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 170691417) has the molecular formula C10H16O and a molecular weight of 155.26 g/mol. Its IUPAC name is 1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one
PubChem CID170691417
Molecular FormulaC10H16O
Molecular Weight155.26 g/mol
Exact Mass155.14
IUPAC Name1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one
SMILES[2H]C([2H])([2H])C1(C)C2CCC1(C)C(=O)C2
InChIInChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/i1D3
InChIKeyDSSYKIVIOFKYAU-FIBGUPNXSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464
methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 18963492
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
CID 162060866
dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate
CID 158108968
azanium;methyl sulfate;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 160904354
ethanesulfonic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 161096560
phenol;selane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 172999582
terephthalic acid;bis(1,7,7-trimethylbicyclo[2.2.1]heptan-2-one)
CID 158933619
2-hydroxyethanesulfonic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 162112079
(1S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 129418603
1,8,8-trimethyl-2-azabicyclo[3.2.1]octane;1,8,8-trimethyl-2-azabicyclo[3.2.1]octan-3-one;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 159556446

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one (CID 170691417) is 1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one is [2H]C([2H])([2H])C1(C)C2CCC1(C)C(=O)C2.
What is the InChIKey of 1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is DSSYKIVIOFKYAU-FIBGUPNXSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/i1D3.
What are the key properties of 1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one?
1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 155.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 170691417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).