5,5-diethylcyclopentene-1-carboxylic acid

C10H16O2 — CID 67225962

IUPAC5,5-diethylcyclopentene-1-carboxylic acid
SMILESCCC1(CC)CCC=C1C(=O)O
InChIInChI=1S/C10H16O2/c1-3-10(4-2)7-5-6-8(10)9(11)12/h6H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyUDABDRWWENCGLS-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds3

About 5,5-diethylcyclopentene-1-carboxylic acid

5,5-diethylcyclopentene-1-carboxylic acid (PubChem CID 67225962) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5,5-diethylcyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name5,5-diethylcyclopentene-1-carboxylic acid
PubChem CID67225962
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5,5-diethylcyclopentene-1-carboxylic acid
SMILESCCC1(CC)CCC=C1C(=O)O
InChIInChI=1S/C10H16O2/c1-3-10(4-2)7-5-6-8(10)9(11)12/h6H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyUDABDRWWENCGLS-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethylcyclopentene-1-carboxylic acid?
The IUPAC name of 5,5-diethylcyclopentene-1-carboxylic acid (CID 67225962) is 5,5-diethylcyclopentene-1-carboxylic acid.
What is the SMILES notation for 5,5-diethylcyclopentene-1-carboxylic acid?
The canonical SMILES for 5,5-diethylcyclopentene-1-carboxylic acid is CCC1(CC)CCC=C1C(=O)O.
What is the InChIKey of 5,5-diethylcyclopentene-1-carboxylic acid?
The InChIKey is UDABDRWWENCGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-10(4-2)7-5-6-8(10)9(11)12/h6H,3-5,7H2,1-2H3,(H,11,12).
What are the key properties of 5,5-diethylcyclopentene-1-carboxylic acid?
5,5-diethylcyclopentene-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethylcyclopentene-1-carboxylic acid is sourced from PubChem (CID 67225962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).