2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid

C14H26O3 — CID 79303904

IUPAC2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid
SMILESCCC(O)(C(=O)O)C1CCCCC1C(C)(C)C
InChIInChI=1S/C14H26O3/c1-5-14(17,12(15)16)11-9-7-6-8-10(11)13(2,3)4/h10-11,17H,5-9H2,1-4H3,(H,15,16)
InChIKeyJSAQBIHCPXBVLT-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.06
Rot. Bonds3

About 2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid

2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid (PubChem CID 79303904) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid
PubChem CID79303904
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid
SMILESCCC(O)(C(=O)O)C1CCCCC1C(C)(C)C
InChIInChI=1S/C14H26O3/c1-5-14(17,12(15)16)11-9-7-6-8-10(11)13(2,3)4/h10-11,17H,5-9H2,1-4H3,(H,15,16)
InChIKeyJSAQBIHCPXBVLT-UHFFFAOYSA-N
XLogP3.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid
CID 79304052
2-[(2-tert-butylcyclohexyl)-ethylamino]-2-methylpropanoic acid
CID 65061717
2-hydroxy-2-(thian-4-yl)butanoic acid
CID 79303672
2-hydroxy-2-(4-propylcyclohexyl)butanoic acid
CID 79304063
ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate
CID 79298252
ethyl 2-tert-butylcyclohexane-1-carboxylate
CID 67415687
2-cyclobutyl-2-hydroxypentanoic acid
CID 83051264
2-(cyclopentylmethyl)-2-methylbutanoic acid
CID 62740428
bis(tert-butylcyclopentane);cyclopentane;1,2-ditert-butylcyclopentane;propane
CID 162280179
2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid
CID 79810260
cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate
CID 106874759

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid?
The IUPAC name of 2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid (CID 79303904) is 2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid.
What is the SMILES notation for 2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid?
The canonical SMILES for 2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid is CCC(O)(C(=O)O)C1CCCCC1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid?
The InChIKey is JSAQBIHCPXBVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-5-14(17,12(15)16)11-9-7-6-8-10(11)13(2,3)4/h10-11,17H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid?
2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylcyclohexyl)-2-hydroxybutanoic acid is sourced from PubChem (CID 79303904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).