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

C10H16O — CID 130834339

IUPAC(1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one
SMILESCC1C[C@@]2(C)CC[C@@H]1CC2=O
InChIInChI=1S/C10H16O/c1-7-6-10(2)4-3-8(7)5-9(10)11/h7-8H,3-6H2,1-2H3/t7?,8-,10-/m1/s1
InChIKeyUDPFAUUJXPINKG-JDOFKEMOSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds

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

(1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one (PubChem CID 130834339) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name(1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one
PubChem CID130834339
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one
SMILESCC1C[C@@]2(C)CC[C@@H]1CC2=O
InChIInChI=1S/C10H16O/c1-7-6-10(2)4-3-8(7)5-9(10)11/h7-8H,3-6H2,1-2H3/t7?,8-,10-/m1/s1
InChIKeyUDPFAUUJXPINKG-JDOFKEMOSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one?
The IUPAC name of (1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one (CID 130834339) is (1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one.
What is the SMILES notation for (1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one?
The canonical SMILES for (1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one is CC1C[C@@]2(C)CC[C@@H]1CC2=O.
What is the InChIKey of (1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one?
The InChIKey is UDPFAUUJXPINKG-JDOFKEMOSA-N. The full InChI is InChI=1S/C10H16O/c1-7-6-10(2)4-3-8(7)5-9(10)11/h7-8H,3-6H2,1-2H3/t7?,8-,10-/m1/s1.
What are the key properties of (1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one?
(1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one has a molecular weight of 152.24 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 130834339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).