(1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one

C10H14O — CID 98043952

IUPAC(1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one
SMILESC[C@@]12CCC3[C@H](C[C@@]31C)C2=O
InChIInChI=1S/C10H14O/c1-9-4-3-7-6(8(9)11)5-10(7,9)2/h6-7H,3-5H2,1-2H3/t6-,7?,9-,10-/m0/s1
InChIKeyGKZKZITYBMINAL-FKBXGNIDSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds

About (1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one

(1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one (PubChem CID 98043952) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one.

Molecular Properties

Compound Name(1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one
PubChem CID98043952
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one
SMILESC[C@@]12CCC3[C@H](C[C@@]31C)C2=O
InChIInChI=1S/C10H14O/c1-9-4-3-7-6(8(9)11)5-10(7,9)2/h6-7H,3-5H2,1-2H3/t6-,7?,9-,10-/m0/s1
InChIKeyGKZKZITYBMINAL-FKBXGNIDSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one with MolForge

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Launch Full Analysis

Related Compounds

1,5-dimethyltricyclo[3.3.1.02,7]nonan-8-one
CID 130037243
(1R,3S,4S)-1,7,7-trimethyl-3-[(1R,2S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptan-2-one
CID 98545590
(1S,3S,4R)-3-(dimethylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 102518889
(1R,3S,4S)-3-chloro-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 76963025
(1S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 22831387
(1R,4R)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 59390081
(1R,3S,4R)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 3006542
(1R,3S)-3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 131181862
(1R,3S,4S)-1,7,7-trimethyl-3-[[(1S,2S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]diselanyl]bicyclo[2.2.1]heptan-2-one
CID 10895811
(1S,3R,4R)-1,7,7-trimethyl-3-[2-[(1S,2R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptan-2-one
CID 98103053
(1S,3S,4R)-1,7,7-trimethyl-3-[2-[(1S,2S,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptan-2-one
CID 124768639
1,7,7-trimethyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)diselanyl]bicyclo[2.2.1]heptan-2-one
CID 85297663

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one?
The IUPAC name of (1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one (CID 98043952) is (1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one.
What is the SMILES notation for (1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one?
The canonical SMILES for (1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one is C[C@@]12CCC3[C@H](C[C@@]31C)C2=O.
What is the InChIKey of (1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one?
The InChIKey is GKZKZITYBMINAL-FKBXGNIDSA-N. The full InChI is InChI=1S/C10H14O/c1-9-4-3-7-6(8(9)11)5-10(7,9)2/h6-7H,3-5H2,1-2H3/t6-,7?,9-,10-/m0/s1.
What are the key properties of (1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one?
(1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one has a molecular weight of 150.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one is sourced from PubChem (CID 98043952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).