1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane

C14H26O3 — CID 66827258

IUPAC1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane
SMILESC=C(OCCOCCOCCCC)C1CCC1
InChIInChI=1S/C14H26O3/c1-3-4-8-15-9-10-16-11-12-17-13(2)14-6-5-7-14/h14H,2-12H2,1H3
InChIKeyHAUPMNKFKXNKSU-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.15
Rot. Bonds11

About 1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane

1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane (PubChem CID 66827258) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane
PubChem CID66827258
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane
SMILESC=C(OCCOCCOCCCC)C1CCC1
InChIInChI=1S/C14H26O3/c1-3-4-8-15-9-10-16-11-12-17-13(2)14-6-5-7-14/h14H,2-12H2,1H3
InChIKeyHAUPMNKFKXNKSU-UHFFFAOYSA-N
XLogP3.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane (CID 66827258) is 1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane is C=C(OCCOCCOCCCC)C1CCC1.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane?
The InChIKey is HAUPMNKFKXNKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-4-8-15-9-10-16-11-12-17-13(2)14-6-5-7-14/h14H,2-12H2,1H3.
What are the key properties of 1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane?
1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane has a molecular weight of 242.36 g/mol, XLogP of 3.15, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethoxy]ethenylcyclobutane is sourced from PubChem (CID 66827258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).