3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid

C12H22O2 — CID 90130827

IUPAC3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid
SMILESCC(C)C(C)(C)CC1CC(C(=O)O)C1
InChIInChI=1S/C12H22O2/c1-8(2)12(3,4)7-9-5-10(6-9)11(13)14/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyIOIJXBCJKGJHQI-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.17
Rot. Bonds4

About 3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid

3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid (PubChem CID 90130827) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid
PubChem CID90130827
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid
SMILESCC(C)C(C)(C)CC1CC(C(=O)O)C1
InChIInChI=1S/C12H22O2/c1-8(2)12(3,4)7-9-5-10(6-9)11(13)14/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyIOIJXBCJKGJHQI-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 23443973
5-(2-methylbutan-2-yl)cyclohexane-1,3-dicarboxylic acid
CID 67154598
3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 141269835
3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
CID 105441708
3-(2,2-dimethylpropyl)-4-oxocyclopentane-1-carboxylic acid
CID 146260725
3-octylcyclobutane-1-carboxylic acid
CID 19430953
3-methylcyclobutane-1-carboxylic acid
CID 3044406
3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid
CID 58003870
4,5-bis(2,2-dimethylpropyl)cyclohexane-1,2-dicarboxylic acid
CID 155177346
5-(hydroperoxymethyl)cyclohexane-1,3-dicarboxylic acid
CID 59945018
2-(2,2,3-trimethylbutyl)propanedioic acid
CID 174849631
trans-(1R,3R)-3-(4,4-dimethylpentyl)cyclopentane-1-carboxylic acid
CID 71036933

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid (CID 90130827) is 3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid is CC(C)C(C)(C)CC1CC(C(=O)O)C1.
What is the InChIKey of 3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid?
The InChIKey is IOIJXBCJKGJHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-8(2)12(3,4)7-9-5-10(6-9)11(13)14/h8-10H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid?
3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid has a molecular weight of 198.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3-trimethylbutyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 90130827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).