(2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one

C14H22O — CID 167311426

IUPAC(2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one
SMILESCC1(C)C2CC1[C@@]1(C)CCCCC1C2=O
InChIInChI=1S/C14H22O/c1-13(2)10-8-11(13)14(3)7-5-4-6-9(14)12(10)15/h9-11H,4-8H2,1-3H3/t9?,10?,11?,14-/m0/s1
InChIKeyGRIYGMXQVVRLGT-CMLRVBMESA-N
MW206.33 g/mol
LogP3.43
Rot. Bonds

About (2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one

(2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one (PubChem CID 167311426) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one.

Molecular Properties

Compound Name(2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one
PubChem CID167311426
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one
SMILESCC1(C)C2CC1[C@@]1(C)CCCCC1C2=O
InChIInChI=1S/C14H22O/c1-13(2)10-8-11(13)14(3)7-5-4-6-9(14)12(10)15/h9-11H,4-8H2,1-3H3/t9?,10?,11?,14-/m0/s1
InChIKeyGRIYGMXQVVRLGT-CMLRVBMESA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10920879
(2R,4S,4aS,8aS)-2-methoxy-4a-methyl-4-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 10934984
(3aR,9aS,9bR)-3a,9a-dimethyl-4,5,5a,6,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-one
CID 143398960
(1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one
CID 1426479
(5S)-4a,5-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 143298667
(5S,8S,9S,10S,13R,14R)-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
CID 125028459
(1R,4R,5R)-4-chloro-4,6,6-trimethylbicyclo[3.1.1]heptane-2,3-dione
CID 125484893
1-ethyl-4b,8,8-trimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-one
CID 71434702
(4aS,6aR,7aS,10aS,11aR,11bR)-7a,11b-dimethyl-1,2,3,4,4a,5,6,6a,7,9,10,10a,11,11a-tetradecahydrocyclopenta[b]phenanthren-8-one
CID 122676879
(3S,4aS,4bS,8aS)-3,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-one
CID 10978226
(1R,3S,5R)-3-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-one
CID 142037273
(3R,4aS,8aR)-3,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 22212489

Frequently Asked Questions

What is the IUPAC name of (2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one?
The IUPAC name of (2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one (CID 167311426) is (2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one.
What is the SMILES notation for (2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one?
The canonical SMILES for (2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one is CC1(C)C2CC1[C@@]1(C)CCCCC1C2=O.
What is the InChIKey of (2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one?
The InChIKey is GRIYGMXQVVRLGT-CMLRVBMESA-N. The full InChI is InChI=1S/C14H22O/c1-13(2)10-8-11(13)14(3)7-5-4-6-9(14)12(10)15/h9-11H,4-8H2,1-3H3/t9?,10?,11?,14-/m0/s1.
What are the key properties of (2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one?
(2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one has a molecular weight of 206.33 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,10,10-trimethyltricyclo[7.1.1.02,7]undecan-8-one is sourced from PubChem (CID 167311426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).