2-(2-ethylbut-1-enoxy)ethoxycyclobutane

C12H22O2 — CID 151005053

IUPAC2-(2-ethylbut-1-enoxy)ethoxycyclobutane
SMILESCCC(=COCCOC1CCC1)CC
InChIInChI=1S/C12H22O2/c1-3-11(4-2)10-13-8-9-14-12-6-5-7-12/h10,12H,3-9H2,1-2H3
InChIKeyLUXHHMYUZJDJSP-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds7

About 2-(2-ethylbut-1-enoxy)ethoxycyclobutane

2-(2-ethylbut-1-enoxy)ethoxycyclobutane (PubChem CID 151005053) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-ethylbut-1-enoxy)ethoxycyclobutane.

Molecular Properties

Compound Name2-(2-ethylbut-1-enoxy)ethoxycyclobutane
PubChem CID151005053
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(2-ethylbut-1-enoxy)ethoxycyclobutane
SMILESCCC(=COCCOC1CCC1)CC
InChIInChI=1S/C12H22O2/c1-3-11(4-2)10-13-8-9-14-12-6-5-7-12/h10,12H,3-9H2,1-2H3
InChIKeyLUXHHMYUZJDJSP-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-ethylbut-1-enoxy)ethoxycyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(Trifluoromethyl)but-1-enoxy]ethoxycyclobutane
CID 150889306
3-(2-Butoxyethoxymethylidene)pentane
CID 22234796
3-(2-Ethoxyethoxymethylidene)pentane
CID 22234834
(E)-1-(2-butoxyethoxy)-2-methylbut-1-ene
CID 87669233
1-(2-Butoxyethoxy)-2-methylbut-1-ene
CID 91090413
3-[2-(2-Ethylbut-1-enoxy)propoxymethylidene]pentane
CID 91563416
2-Methylbut-1-enoxycyclobutane
CID 140148317
2-Ethylbut-1-enoxycyclobutane
CID 140148340
2-(3-Methylbut-1-enoxy)ethoxycyclobutane
CID 149681701
3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete
CID 150779466
2-(2-Methylprop-1-enoxy)ethoxycyclobutane
CID 151499335

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbut-1-enoxy)ethoxycyclobutane?
The IUPAC name of 2-(2-ethylbut-1-enoxy)ethoxycyclobutane (CID 151005053) is 2-(2-ethylbut-1-enoxy)ethoxycyclobutane.
What is the SMILES notation for 2-(2-ethylbut-1-enoxy)ethoxycyclobutane?
The canonical SMILES for 2-(2-ethylbut-1-enoxy)ethoxycyclobutane is CCC(=COCCOC1CCC1)CC.
What is the InChIKey of 2-(2-ethylbut-1-enoxy)ethoxycyclobutane?
The InChIKey is LUXHHMYUZJDJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-11(4-2)10-13-8-9-14-12-6-5-7-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-(2-ethylbut-1-enoxy)ethoxycyclobutane?
2-(2-ethylbut-1-enoxy)ethoxycyclobutane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbut-1-enoxy)ethoxycyclobutane is sourced from PubChem (CID 151005053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).