1-ethylcyclopentane-1-carboxylic acid

C8H14O2 — CID 22670946

IUPAC1-ethylcyclopentane-1-carboxylic acid
SMILESCCC1(C(=O)O)CCCC1
InChIInChI=1S/C8H14O2/c1-2-8(7(9)10)5-3-4-6-8/h2-6H2,1H3,(H,9,10)
InChIKeyCUMLHEATBNFNNU-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.04
Rot. Bonds2

About 1-ethylcyclopentane-1-carboxylic acid

1-ethylcyclopentane-1-carboxylic acid (PubChem CID 22670946) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-ethylcyclopentane-1-carboxylic acid
PubChem CID22670946
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-ethylcyclopentane-1-carboxylic acid
SMILESCCC1(C(=O)O)CCCC1
InChIInChI=1S/C8H14O2/c1-2-8(7(9)10)5-3-4-6-8/h2-6H2,1H3,(H,9,10)
InChIKeyCUMLHEATBNFNNU-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethylhexanoic Acid
CID 8697
Neodecanoic acid
CID 62817
3,5,5-Trimethylhexanoic acid
CID 90960
Cyclopentanecarboxylic acid
CID 18840
(2S)-2-ethylhexanoic acid
CID 135309
Hexanoic acid, 3-propyl-
CID 212838
2-Ethyl-2-methylpentanoic acid
CID 95300
(-)-2-Ethylhexanoic acid
CID 78052
Hexanoic acid, 2-ethyl-, iron(2+) iron(3+) salt (1:?:?)
CID 109216
2,2-Dimethylhexanoic Acid
CID 163217
2-Ethyl-2-methylhexanoic acid
CID 36646
2-Methyl-2-n-propylpentanoic acid
CID 134947

Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-ethylcyclopentane-1-carboxylic acid (CID 22670946) is 1-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-ethylcyclopentane-1-carboxylic acid is CCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-ethylcyclopentane-1-carboxylic acid?
The InChIKey is CUMLHEATBNFNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-8(7(9)10)5-3-4-6-8/h2-6H2,1H3,(H,9,10).
What are the key properties of 1-ethylcyclopentane-1-carboxylic acid?
1-ethylcyclopentane-1-carboxylic acid has a molecular weight of 142.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 22670946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).