2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid

C14H24O3 — CID 103272485

IUPAC2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid
SMILESCCC1CCCCC1OC1(CC(=O)O)CCC1
InChIInChI=1S/C14H24O3/c1-2-11-6-3-4-7-12(11)17-14(8-5-9-14)10-13(15)16/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyBTTJLKORBXLPDQ-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.37
Rot. Bonds5

About 2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid

2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid (PubChem CID 103272485) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid
PubChem CID103272485
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid
SMILESCCC1CCCCC1OC1(CC(=O)O)CCC1
InChIInChI=1S/C14H24O3/c1-2-11-6-3-4-7-12(11)17-14(8-5-9-14)10-13(15)16/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyBTTJLKORBXLPDQ-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid (CID 103272485) is 2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid is CCC1CCCCC1OC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid?
The InChIKey is BTTJLKORBXLPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-11-6-3-4-7-12(11)17-14(8-5-9-14)10-13(15)16/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid?
2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid has a molecular weight of 240.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylcyclohexyl)oxycyclobutyl]acetic acid is sourced from PubChem (CID 103272485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).