1-bromo-3-(2-butoxyethoxy)cyclobutane

C10H19BrO2 — CID 66345122

IUPAC1-bromo-3-(2-butoxyethoxy)cyclobutane
SMILESCCCCOCCOC1CC(Br)C1
InChIInChI=1S/C10H19BrO2/c1-2-3-4-12-5-6-13-10-7-9(11)8-10/h9-10H,2-8H2,1H3
InChIKeyOMIIYYSESZKPDW-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.75
Rot. Bonds7

About 1-bromo-3-(2-butoxyethoxy)cyclobutane

1-bromo-3-(2-butoxyethoxy)cyclobutane (PubChem CID 66345122) has the molecular formula C10H19BrO2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-bromo-3-(2-butoxyethoxy)cyclobutane.

Molecular Properties

Compound Name1-bromo-3-(2-butoxyethoxy)cyclobutane
PubChem CID66345122
Molecular FormulaC10H19BrO2
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name1-bromo-3-(2-butoxyethoxy)cyclobutane
SMILESCCCCOCCOC1CC(Br)C1
InChIInChI=1S/C10H19BrO2/c1-2-3-4-12-5-6-13-10-7-9(11)8-10/h9-10H,2-8H2,1H3
InChIKeyOMIIYYSESZKPDW-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-butoxyethoxycyclobutane
CID 150038799
3-(2-butoxyethoxy)-N-methylcyclopentan-1-amine
CID 79642433
1,10-bis(2-butoxyethoxy)decane
CID 90257337
3-bromo-1-(2-butoxyethoxy)spiro[3.4]octane
CID 66344695
1-bromo-3-(4-methylpentoxy)cyclobutane
CID 66345127
3-(2-butoxyethoxy)piperidine
CID 55151121
1-(2-nonoxyethoxy)nonane
CID 87982931
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-butoxyethoxy)cyclobutane?
The IUPAC name of 1-bromo-3-(2-butoxyethoxy)cyclobutane (CID 66345122) is 1-bromo-3-(2-butoxyethoxy)cyclobutane.
What is the SMILES notation for 1-bromo-3-(2-butoxyethoxy)cyclobutane?
The canonical SMILES for 1-bromo-3-(2-butoxyethoxy)cyclobutane is CCCCOCCOC1CC(Br)C1.
What is the InChIKey of 1-bromo-3-(2-butoxyethoxy)cyclobutane?
The InChIKey is OMIIYYSESZKPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-2-3-4-12-5-6-13-10-7-9(11)8-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-bromo-3-(2-butoxyethoxy)cyclobutane?
1-bromo-3-(2-butoxyethoxy)cyclobutane has a molecular weight of 251.16 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-butoxyethoxy)cyclobutane is sourced from PubChem (CID 66345122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).