3-ethylbicyclo[3.2.1]octane-3-carboxylic acid

C11H18O2 — CID 13370226

IUPAC3-ethylbicyclo[3.2.1]octane-3-carboxylic acid
SMILESCCC1(C(=O)O)CC2CCC(C2)C1
InChIInChI=1S/C11H18O2/c1-2-11(10(12)13)6-8-3-4-9(5-8)7-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyITPRTGNCXNGJRW-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds2

About 3-ethylbicyclo[3.2.1]octane-3-carboxylic acid

3-ethylbicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 13370226) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-ethylbicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name3-ethylbicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID13370226
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-ethylbicyclo[3.2.1]octane-3-carboxylic acid
SMILESCCC1(C(=O)O)CC2CCC(C2)C1
InChIInChI=1S/C11H18O2/c1-2-11(10(12)13)6-8-3-4-9(5-8)7-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyITPRTGNCXNGJRW-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,2,3-Trimethylcyclopentyl)butanoic acid
CID 25099817
Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
CID 99843
Tricyclo[4.3.1.1,3,8]undecane-1-carboxylic acid
CID 541956
Cyclohexaneacetic acid, 3,3,5-trimethyl-
CID 102954
IG 10
CID 68890
1-Ethylcyclohexane-1-carboxylic acid
CID 549719
Isolongifolic acid
CID 11831435
3-Ethylcyclopentanepropanoic acid
CID 20849290
1-(2-Ethyl-butyl)-cyclohexanecarboxylic acid
CID 10488751
Bicyclo(3.2.1)octane-3-carboxylic acid, methyl ester
CID 13370222
Cyclohexaneacetic acid, alpha,alpha-dimethyl-
CID 177742
2-(1-Methylcyclohexyl)acetic acid
CID 13697885

Frequently Asked Questions

What is the IUPAC name of 3-ethylbicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 3-ethylbicyclo[3.2.1]octane-3-carboxylic acid (CID 13370226) is 3-ethylbicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 3-ethylbicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 3-ethylbicyclo[3.2.1]octane-3-carboxylic acid is CCC1(C(=O)O)CC2CCC(C2)C1.
What is the InChIKey of 3-ethylbicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is ITPRTGNCXNGJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-11(10(12)13)6-8-3-4-9(5-8)7-11/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-ethylbicyclo[3.2.1]octane-3-carboxylic acid?
3-ethylbicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylbicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 13370226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).