2-hydroxy-2-(4-propylcyclohexyl)acetic acid

C11H20O3 — CID 66289223

IUPAC2-hydroxy-2-(4-propylcyclohexyl)acetic acid
SMILESCCCC1CCC(C(O)C(=O)O)CC1
InChIInChI=1S/C11H20O3/c1-2-3-8-4-6-9(7-5-8)10(12)11(13)14/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyURKZYEWYVVWANN-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.04
Rot. Bonds4

About 2-hydroxy-2-(4-propylcyclohexyl)acetic acid

2-hydroxy-2-(4-propylcyclohexyl)acetic acid (PubChem CID 66289223) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-hydroxy-2-(4-propylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-propylcyclohexyl)acetic acid
PubChem CID66289223
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-hydroxy-2-(4-propylcyclohexyl)acetic acid
SMILESCCCC1CCC(C(O)C(=O)O)CC1
InChIInChI=1S/C11H20O3/c1-2-3-8-4-6-9(7-5-8)10(12)11(13)14/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyURKZYEWYVVWANN-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-propylcyclohexyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(4-propylcyclohexyl)acetic acid (CID 66289223) is 2-hydroxy-2-(4-propylcyclohexyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(4-propylcyclohexyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(4-propylcyclohexyl)acetic acid is CCCC1CCC(C(O)C(=O)O)CC1.
What is the InChIKey of 2-hydroxy-2-(4-propylcyclohexyl)acetic acid?
The InChIKey is URKZYEWYVVWANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-3-8-4-6-9(7-5-8)10(12)11(13)14/h8-10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-hydroxy-2-(4-propylcyclohexyl)acetic acid?
2-hydroxy-2-(4-propylcyclohexyl)acetic acid has a molecular weight of 200.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-propylcyclohexyl)acetic acid is sourced from PubChem (CID 66289223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).