(1R,5R)-2-ethylbicyclo[3.3.1]nonane

C11H20 — CID 143508540

IUPAC(1R,5R)-2-ethylbicyclo[3.3.1]nonane
SMILESCCC1CC[C@H]2CCC[C@@H]1C2
InChIInChI=1S/C11H20/c1-2-10-7-6-9-4-3-5-11(10)8-9/h9-11H,2-8H2,1H3/t9-,10?,11-/m1/s1
InChIKeyWKBCSXCDKPLIQP-GLYLRITDSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds1

About (1R,5R)-2-ethylbicyclo[3.3.1]nonane

(1R,5R)-2-ethylbicyclo[3.3.1]nonane (PubChem CID 143508540) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (1R,5R)-2-ethylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5R)-2-ethylbicyclo[3.3.1]nonane
PubChem CID143508540
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(1R,5R)-2-ethylbicyclo[3.3.1]nonane
SMILESCCC1CC[C@H]2CCC[C@@H]1C2
InChIInChI=1S/C11H20/c1-2-10-7-6-9-4-3-5-11(10)8-9/h9-11H,2-8H2,1H3/t9-,10?,11-/m1/s1
InChIKeyWKBCSXCDKPLIQP-GLYLRITDSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-2-methylbicyclo[3.3.1]nonane
CID 148913731
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
2-pentylbicyclo[4.2.1]nonane
CID 123279390
2-(2-bicyclo[3.3.1]nonanylmethyl)-1,3-dioxane
CID 139405944
CID 174150583
CID 174150583
1-cyclobutyl-2-ethylcyclobutane
CID 123211451
2-(2-bicyclo[3.3.1]nonanylmethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
CID 174247109
methane;(2S)-2-methylbicyclo[3.3.1]nonane
CID 165048741
(3R,11S)-tricyclo[5.5.1.03,11]tridecane
CID 54121059
[(1S,5R,6R)-6-bicyclo[3.2.1]octanyl]methanol
CID 131199969
2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane
CID 165003699

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-2-ethylbicyclo[3.3.1]nonane?
The IUPAC name of (1R,5R)-2-ethylbicyclo[3.3.1]nonane (CID 143508540) is (1R,5R)-2-ethylbicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5R)-2-ethylbicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5R)-2-ethylbicyclo[3.3.1]nonane is CCC1CC[C@H]2CCC[C@@H]1C2.
What is the InChIKey of (1R,5R)-2-ethylbicyclo[3.3.1]nonane?
The InChIKey is WKBCSXCDKPLIQP-GLYLRITDSA-N. The full InChI is InChI=1S/C11H20/c1-2-10-7-6-9-4-3-5-11(10)8-9/h9-11H,2-8H2,1H3/t9-,10?,11-/m1/s1.
What are the key properties of (1R,5R)-2-ethylbicyclo[3.3.1]nonane?
(1R,5R)-2-ethylbicyclo[3.3.1]nonane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-2-ethylbicyclo[3.3.1]nonane is sourced from PubChem (CID 143508540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).