3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid

C8H12O2 — CID 122667621

IUPAC3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCCC12CC(C(=O)O)(C1)C2
InChIInChI=1S/C8H12O2/c1-2-7-3-8(4-7,5-7)6(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyUCSOISHLWPFVKN-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.65
Rot. Bonds2

About 3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid

3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 122667621) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID122667621
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCCC12CC(C(=O)O)(C1)C2
InChIInChI=1S/C8H12O2/c1-2-7-3-8(4-7,5-7)6(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyUCSOISHLWPFVKN-UHFFFAOYSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid (CID 122667621) is 3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid is CCC12CC(C(=O)O)(C1)C2.
What is the InChIKey of 3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is UCSOISHLWPFVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-7-3-8(4-7,5-7)6(9)10/h2-5H2,1H3,(H,9,10).
What are the key properties of 3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid?
3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 140.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 122667621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).