5,5-dimethylcyclopentene-1-carboxylic acid

C8H12O2 — CID 55302727

IUPAC5,5-dimethylcyclopentene-1-carboxylic acid
SMILESCC1(C)CCC=C1C(=O)O
InChIInChI=1S/C8H12O2/c1-8(2)5-3-4-6(8)7(9)10/h4H,3,5H2,1-2H3,(H,9,10)
InChIKeyUSPSEEUGTLAWOE-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.82
Rot. Bonds1

About 5,5-dimethylcyclopentene-1-carboxylic acid

5,5-dimethylcyclopentene-1-carboxylic acid (PubChem CID 55302727) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5,5-dimethylcyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name5,5-dimethylcyclopentene-1-carboxylic acid
PubChem CID55302727
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5,5-dimethylcyclopentene-1-carboxylic acid
SMILESCC1(C)CCC=C1C(=O)O
InChIInChI=1S/C8H12O2/c1-8(2)5-3-4-6(8)7(9)10/h4H,3,5H2,1-2H3,(H,9,10)
InChIKeyUSPSEEUGTLAWOE-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylcyclopentene-1-carboxylic acid?
The IUPAC name of 5,5-dimethylcyclopentene-1-carboxylic acid (CID 55302727) is 5,5-dimethylcyclopentene-1-carboxylic acid.
What is the SMILES notation for 5,5-dimethylcyclopentene-1-carboxylic acid?
The canonical SMILES for 5,5-dimethylcyclopentene-1-carboxylic acid is CC1(C)CCC=C1C(=O)O.
What is the InChIKey of 5,5-dimethylcyclopentene-1-carboxylic acid?
The InChIKey is USPSEEUGTLAWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(2)5-3-4-6(8)7(9)10/h4H,3,5H2,1-2H3,(H,9,10).
What are the key properties of 5,5-dimethylcyclopentene-1-carboxylic acid?
5,5-dimethylcyclopentene-1-carboxylic acid has a molecular weight of 140.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclopentene-1-carboxylic acid is sourced from PubChem (CID 55302727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).