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

C10H16O2 — CID 13370224

IUPAC3-methylbicyclo[3.2.1]octane-3-carboxylic acid
SMILESCC1(C(=O)O)CC2CCC(C2)C1
InChIInChI=1S/C10H16O2/c1-10(9(11)12)5-7-2-3-8(4-7)6-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeySNLWVLXVFOHYAU-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds1

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

3-methylbicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 13370224) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methylbicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name3-methylbicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID13370224
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-methylbicyclo[3.2.1]octane-3-carboxylic acid
SMILESCC1(C(=O)O)CC2CCC(C2)C1
InChIInChI=1S/C10H16O2/c1-10(9(11)12)5-7-2-3-8(4-7)6-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeySNLWVLXVFOHYAU-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
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
Bicyclo(3.2.1)octane-3-carboxylic acid, 3-ethyl-
CID 13370226
Cyclohexaneacetic acid, alpha,alpha-dimethyl-
CID 177742

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 3-methylbicyclo[3.2.1]octane-3-carboxylic acid (CID 13370224) is 3-methylbicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 3-methylbicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 3-methylbicyclo[3.2.1]octane-3-carboxylic acid is CC1(C(=O)O)CC2CCC(C2)C1.
What is the InChIKey of 3-methylbicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is SNLWVLXVFOHYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(9(11)12)5-7-2-3-8(4-7)6-10/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-methylbicyclo[3.2.1]octane-3-carboxylic acid?
3-methylbicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 13370224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).