1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid

C11H18O2 — CID 70543403

IUPAC1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid
SMILESCC1(C(=O)O)CC2CC1(C)C2(C)C
InChIInChI=1S/C11H18O2/c1-9(2)7-5-10(3,8(12)13)11(9,4)6-7/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyUWPWPGBVHKUVDO-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.53
Rot. Bonds1

About 1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid

1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid (PubChem CID 70543403) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid.

Molecular Properties

Compound Name1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid
PubChem CID70543403
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid
SMILESCC1(C(=O)O)CC2CC1(C)C2(C)C
InChIInChI=1S/C11H18O2/c1-9(2)7-5-10(3,8(12)13)11(9,4)6-7/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyUWPWPGBVHKUVDO-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid?
The IUPAC name of 1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid (CID 70543403) is 1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid.
What is the SMILES notation for 1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid?
The canonical SMILES for 1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid is CC1(C(=O)O)CC2CC1(C)C2(C)C.
What is the InChIKey of 1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid?
The InChIKey is UWPWPGBVHKUVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(2)7-5-10(3,8(12)13)11(9,4)6-7/h7H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid?
1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,5-tetramethylbicyclo[2.1.1]hexane-2-carboxylic acid is sourced from PubChem (CID 70543403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).