(3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane

C12H22 — CID 159924784

IUPAC(3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane
SMILESCCC1C2CC([C@H]1C)[C@H](C)[C@@H]2C
InChIInChI=1S/C12H22/c1-5-10-9(4)11-6-12(10)8(3)7(11)2/h7-12H,5-6H2,1-4H3/t7-,8+,9+,10?,11?,12?/m1/s1
InChIKeyZTDFZGQIUJFUCA-HIMMFARQSA-N
MW166.31 g/mol
LogP3.57
Rot. Bonds1

About (3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane

(3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane (PubChem CID 159924784) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane
PubChem CID159924784
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane
SMILESCCC1C2CC([C@H]1C)[C@H](C)[C@@H]2C
InChIInChI=1S/C12H22/c1-5-10-9(4)11-6-12(10)8(3)7(11)2/h7-12H,5-6H2,1-4H3/t7-,8+,9+,10?,11?,12?/m1/s1
InChIKeyZTDFZGQIUJFUCA-HIMMFARQSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R,3S,4R)-2,3,5-trimethylbicyclo[2.1.1]hexane
CID 163604694
5,6-diethyl-N,3-dimethylbicyclo[2.2.1]heptan-2-amine;ethane
CID 144518105
3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane
CID 123273442
[3-(aminomethyl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanamine
CID 122645180
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
CID 21354381
2-butyl-3,4-dimethylbicyclo[3.1.0]hexane
CID 123902108
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
6-ethyl-7-methylbicyclo[3.2.1]octan-8-amine
CID 73102420
2-methanidyl-5,6-dimethyl-3-(sulfinatomethyl)bicyclo[2.2.1]heptane;(3,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonic acid;yttrium
CID 159132948

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of (3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane (CID 159924784) is (3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for (3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for (3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane is CCC1C2CC([C@H]1C)[C@H](C)[C@@H]2C.
What is the InChIKey of (3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane?
The InChIKey is ZTDFZGQIUJFUCA-HIMMFARQSA-N. The full InChI is InChI=1S/C12H22/c1-5-10-9(4)11-6-12(10)8(3)7(11)2/h7-12H,5-6H2,1-4H3/t7-,8+,9+,10?,11?,12?/m1/s1.
What are the key properties of (3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane?
(3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane has a molecular weight of 166.31 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 159924784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).