2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid

C9H16O3 — CID 174925742

IUPAC2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCC(C)C1CCC(O)C1C(=O)O
InChIInChI=1S/C9H16O3/c1-5(2)6-3-4-7(10)8(6)9(11)12/h5-8,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyCWKFRPGKIIVYSR-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.11
Rot. Bonds2

About 2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid

2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid (PubChem CID 174925742) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid
PubChem CID174925742
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid
SMILESCC(C)C1CCC(O)C1C(=O)O
InChIInChI=1S/C9H16O3/c1-5(2)6-3-4-7(10)8(6)9(11)12/h5-8,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyCWKFRPGKIIVYSR-UHFFFAOYSA-N
XLogP1.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid (CID 174925742) is 2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid is CC(C)C1CCC(O)C1C(=O)O.
What is the InChIKey of 2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is CWKFRPGKIIVYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-5(2)6-3-4-7(10)8(6)9(11)12/h5-8,10H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid?
2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 172.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-propan-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 174925742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).