2-(4-tert-butylcyclohexyl)acetic acid

C12H22O2 — CID 4150736

IUPAC2-(4-tert-butylcyclohexyl)acetic acid
SMILESCC(C)(C)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H22O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyUEERPCZVXPLDMN-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.31
Rot. Bonds2

About 2-(4-tert-butylcyclohexyl)acetic acid

2-(4-tert-butylcyclohexyl)acetic acid (PubChem CID 4150736) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)acetic acid
PubChem CID4150736
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(4-tert-butylcyclohexyl)acetic acid
SMILESCC(C)(C)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H22O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyUEERPCZVXPLDMN-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R,3R)-3-tert-butylcyclohexyl]acetic acid
CID 57180038
methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814
2-(4-tert-butylcyclohexyl)acetic acid;1-hydroxypyridine-2-thione
CID 175002355
1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 120530397
2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone
CID 23596752
3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 122040928
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane
CID 59934768
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
azane;2-cyclohexylacetic acid;iron
CID 67746719
2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid
CID 83835069
2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid
CID 20710011

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)acetic acid?
The IUPAC name of 2-(4-tert-butylcyclohexyl)acetic acid (CID 4150736) is 2-(4-tert-butylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)acetic acid?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)acetic acid is CC(C)(C)C1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)acetic acid?
The InChIKey is UEERPCZVXPLDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-tert-butylcyclohexyl)acetic acid?
2-(4-tert-butylcyclohexyl)acetic acid has a molecular weight of 198.31 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)acetic acid is sourced from PubChem (CID 4150736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).