1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid

C9H16O3 — CID 83905947

IUPAC1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid
SMILESCC1CCC(C)(C)C1(O)C(=O)O
InChIInChI=1S/C9H16O3/c1-6-4-5-8(2,3)9(6,12)7(10)11/h6,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyCFKBOWWLQALDRT-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.26
Rot. Bonds1

About 1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid

1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid (PubChem CID 83905947) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid
PubChem CID83905947
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid
SMILESCC1CCC(C)(C)C1(O)C(=O)O
InChIInChI=1S/C9H16O3/c1-6-4-5-8(2,3)9(6,12)7(10)11/h6,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyCFKBOWWLQALDRT-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid (CID 83905947) is 1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid is CC1CCC(C)(C)C1(O)C(=O)O.
What is the InChIKey of 1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid?
The InChIKey is CFKBOWWLQALDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-6-4-5-8(2,3)9(6,12)7(10)11/h6,12H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid?
1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid has a molecular weight of 172.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 83905947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).