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

C13H22O — CID 121356054

IUPAC(1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one
SMILESCC(C)C[C@@]12CCC(CC1=O)C2(C)C
InChIInChI=1S/C13H22O/c1-9(2)8-13-6-5-10(7-11(13)14)12(13,3)4/h9-10H,5-8H2,1-4H3/t10?,13-/m0/s1
InChIKeyRCPPFNDESOLKBL-HQVZTVAUSA-N
MW194.32 g/mol
LogP3.43
Rot. Bonds2

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

(1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 121356054) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one
PubChem CID121356054
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one
SMILESCC(C)C[C@@]12CCC(CC1=O)C2(C)C
InChIInChI=1S/C13H22O/c1-9(2)8-13-6-5-10(7-11(13)14)12(13,3)4/h9-10H,5-8H2,1-4H3/t10?,13-/m0/s1
InChIKeyRCPPFNDESOLKBL-HQVZTVAUSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dimethyl-1-(2-methylpropoxymethyl)bicyclo[2.2.1]heptan-2-one
CID 174300096
1-[3-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)propyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 122603320
7,7-dimethyl-1-(sulfenatomethyl)bicyclo[2.2.1]heptan-2-one
CID 58100465
2-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)acetamide
CID 174448310
7,7-dimethyl-1-(propoxymethyl)bicyclo[2.2.1]heptan-2-one
CID 174396903
(1S,4R)-7,7-dimethyl-1-(phenylselanylmethyl)bicyclo[2.2.1]heptan-2-one
CID 11404028
2-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N,N-dimethylethanamine oxide
CID 11379119
CID 90772571
CID 90772571
(1S)-1-[(2-hydroxyoxaziridin-3-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 91476329
CID 53427530
CID 53427530
CID 102055976
CID 102055976
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;tetramethylazanium
CID 87130560

Frequently Asked Questions

What is the IUPAC name of (1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one (CID 121356054) is (1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one is CC(C)C[C@@]12CCC(CC1=O)C2(C)C.
What is the InChIKey of (1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is RCPPFNDESOLKBL-HQVZTVAUSA-N. The full InChI is InChI=1S/C13H22O/c1-9(2)8-13-6-5-10(7-11(13)14)12(13,3)4/h9-10H,5-8H2,1-4H3/t10?,13-/m0/s1.
What are the key properties of (1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one?
(1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 194.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 121356054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).