2,5,5-trimethylcyclopentene-1-carboxylic acid

C9H14O2 — CID 45116568

IUPAC2,5,5-trimethylcyclopentene-1-carboxylic acid
SMILESCC1=C(C(=O)O)C(C)(C)CC1
InChIInChI=1S/C9H14O2/c1-6-4-5-9(2,3)7(6)8(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKeyJWSOLUOQJFATDI-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.21
Rot. Bonds1

About 2,5,5-trimethylcyclopentene-1-carboxylic acid

2,5,5-trimethylcyclopentene-1-carboxylic acid (PubChem CID 45116568) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,5,5-trimethylcyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2,5,5-trimethylcyclopentene-1-carboxylic acid
PubChem CID45116568
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2,5,5-trimethylcyclopentene-1-carboxylic acid
SMILESCC1=C(C(=O)O)C(C)(C)CC1
InChIInChI=1S/C9H14O2/c1-6-4-5-9(2,3)7(6)8(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKeyJWSOLUOQJFATDI-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylcyclopentene-1-carboxylic acid?
The IUPAC name of 2,5,5-trimethylcyclopentene-1-carboxylic acid (CID 45116568) is 2,5,5-trimethylcyclopentene-1-carboxylic acid.
What is the SMILES notation for 2,5,5-trimethylcyclopentene-1-carboxylic acid?
The canonical SMILES for 2,5,5-trimethylcyclopentene-1-carboxylic acid is CC1=C(C(=O)O)C(C)(C)CC1.
What is the InChIKey of 2,5,5-trimethylcyclopentene-1-carboxylic acid?
The InChIKey is JWSOLUOQJFATDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-5-9(2,3)7(6)8(10)11/h4-5H2,1-3H3,(H,10,11).
What are the key properties of 2,5,5-trimethylcyclopentene-1-carboxylic acid?
2,5,5-trimethylcyclopentene-1-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylcyclopentene-1-carboxylic acid is sourced from PubChem (CID 45116568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).