1-[4-(1-ethoxyethoxy)butyl]cyclobutene

C12H22O2 — CID 139263563

IUPAC1-[4-(1-ethoxyethoxy)butyl]cyclobutene
SMILESCCOC(C)OCCCCC1=CCC1
InChIInChI=1S/C12H22O2/c1-3-13-11(2)14-10-5-4-7-12-8-6-9-12/h8,11H,3-7,9-10H2,1-2H3
InChIKeyVFKOHQYKZWSIDJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds8

About 1-[4-(1-ethoxyethoxy)butyl]cyclobutene

1-[4-(1-ethoxyethoxy)butyl]cyclobutene (PubChem CID 139263563) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[4-(1-ethoxyethoxy)butyl]cyclobutene.

Molecular Properties

Compound Name1-[4-(1-ethoxyethoxy)butyl]cyclobutene
PubChem CID139263563
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-[4-(1-ethoxyethoxy)butyl]cyclobutene
SMILESCCOC(C)OCCCCC1=CCC1
InChIInChI=1S/C12H22O2/c1-3-13-11(2)14-10-5-4-7-12-8-6-9-12/h8,11H,3-7,9-10H2,1-2H3
InChIKeyVFKOHQYKZWSIDJ-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethoxyethoxy)butyl]cyclobutene?
The IUPAC name of 1-[4-(1-ethoxyethoxy)butyl]cyclobutene (CID 139263563) is 1-[4-(1-ethoxyethoxy)butyl]cyclobutene.
What is the SMILES notation for 1-[4-(1-ethoxyethoxy)butyl]cyclobutene?
The canonical SMILES for 1-[4-(1-ethoxyethoxy)butyl]cyclobutene is CCOC(C)OCCCCC1=CCC1.
What is the InChIKey of 1-[4-(1-ethoxyethoxy)butyl]cyclobutene?
The InChIKey is VFKOHQYKZWSIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-13-11(2)14-10-5-4-7-12-8-6-9-12/h8,11H,3-7,9-10H2,1-2H3.
What are the key properties of 1-[4-(1-ethoxyethoxy)butyl]cyclobutene?
1-[4-(1-ethoxyethoxy)butyl]cyclobutene has a molecular weight of 198.31 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethoxyethoxy)butyl]cyclobutene is sourced from PubChem (CID 139263563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).