7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane

C12H22 — CID 142049190

IUPAC7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane
SMILESCCC1(C)C2CCC1(C)C(C)C2
InChIInChI=1S/C12H22/c1-5-11(3)10-6-7-12(11,4)9(2)8-10/h9-10H,5-8H2,1-4H3
InChIKeyOOKANUPYVJQSSW-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds1

About 7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane

7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane (PubChem CID 142049190) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane
PubChem CID142049190
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane
SMILESCCC1(C)C2CCC1(C)C(C)C2
InChIInChI=1S/C12H22/c1-5-11(3)10-6-7-12(11,4)9(2)8-10/h9-10H,5-8H2,1-4H3
InChIKeyOOKANUPYVJQSSW-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane
CID 123379170
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
(1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 129433767
[(1R,2R,4R,7R)-1-(diphenylphosphanylmethyl)-2,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methyl-diphenylphosphane
CID 11005839
(1R,2R,3S,6S,7S,8S)-2-(hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
CID 122211308
2-[2-[[7-(cyanomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl]diazenyl]-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]acetonitrile
CID 158964825
2,6,6-trimethyl-2-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 23528933
1-ethylbicyclo[2.2.0]hexane
CID 90977886
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
2-ethoxy-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 101328321
4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328467

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of 7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane (CID 142049190) is 7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane is CCC1(C)C2CCC1(C)C(C)C2.
What is the InChIKey of 7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane?
The InChIKey is OOKANUPYVJQSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-11(3)10-6-7-12(11,4)9(2)8-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane?
7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 142049190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).