2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane

C15H29BrO4 — CID 104567988

IUPAC2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane
SMILESCCC1(CC)C(Br)CC1OCCOCCOCCOC
InChIInChI=1S/C15H29BrO4/c1-4-15(5-2)13(16)12-14(15)20-11-10-19-9-8-18-7-6-17-3/h13-14H,4-12H2,1-3H3
InChIKeyVHGHCEWAGQNNRV-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.02
Rot. Bonds12

About 2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane

2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane (PubChem CID 104567988) has the molecular formula C15H29BrO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane.

Molecular Properties

Compound Name2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane
PubChem CID104567988
Molecular FormulaC15H29BrO4
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane
SMILESCCC1(CC)C(Br)CC1OCCOCCOCCOC
InChIInChI=1S/C15H29BrO4/c1-4-15(5-2)13(16)12-14(15)20-11-10-19-9-8-18-7-6-17-3/h13-14H,4-12H2,1-3H3
InChIKeyVHGHCEWAGQNNRV-UHFFFAOYSA-N
XLogP3.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane
CID 104567999
2,2-diethyl-3-[3-(2-methoxyethoxy)propoxy]cyclobutan-1-amine
CID 103408108
2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine
CID 66357579
2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane
CID 103408040
2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine
CID 113427576
4-[(3-bromo-2,2-diethylcyclobutyl)oxymethyl]oxane
CID 66343303
3-bromo-1-(2-butoxyethoxy)spiro[3.4]octane
CID 66344695
3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol
CID 103176134
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]oxirane
CID 140866657
N-ethyl-3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylcyclobutan-1-amine
CID 103408066
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane?
The IUPAC name of 2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane (CID 104567988) is 2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane.
What is the SMILES notation for 2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane?
The canonical SMILES for 2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane is CCC1(CC)C(Br)CC1OCCOCCOCCOC.
What is the InChIKey of 2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane?
The InChIKey is VHGHCEWAGQNNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrO4/c1-4-15(5-2)13(16)12-14(15)20-11-10-19-9-8-18-7-6-17-3/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane?
2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane has a molecular weight of 353.30 g/mol, XLogP of 3.02, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane is sourced from PubChem (CID 104567988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).