2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid

C12H22O3 — CID 79304052

IUPAC2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid
SMILESCCC(O)(C(=O)O)C1CCC(C)CC1C
InChIInChI=1S/C12H22O3/c1-4-12(15,11(13)14)10-6-5-8(2)7-9(10)3/h8-10,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyPLCDPSAVKHTDNT-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.28
Rot. Bonds3

About 2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid

2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid (PubChem CID 79304052) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid
PubChem CID79304052
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid
SMILESCCC(O)(C(=O)O)C1CCC(C)CC1C
InChIInChI=1S/C12H22O3/c1-4-12(15,11(13)14)10-6-5-8(2)7-9(10)3/h8-10,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyPLCDPSAVKHTDNT-UHFFFAOYSA-N
XLogP2.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid?
The IUPAC name of 2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid (CID 79304052) is 2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid.
What is the SMILES notation for 2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid?
The canonical SMILES for 2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid is CCC(O)(C(=O)O)C1CCC(C)CC1C.
What is the InChIKey of 2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid?
The InChIKey is PLCDPSAVKHTDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-12(15,11(13)14)10-6-5-8(2)7-9(10)3/h8-10,15H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid?
2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylcyclohexyl)-2-hydroxybutanoic acid is sourced from PubChem (CID 79304052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).