1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane

C9H17BrO2 — CID 65007473

IUPAC1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
SMILESCOCCOCC1(CBr)CCC1
InChIInChI=1S/C9H17BrO2/c1-11-5-6-12-8-9(7-10)3-2-4-9/h2-8H2,1H3
InChIKeyNERMBCCSMCZQAK-UHFFFAOYSA-N
MW237.14 g/mol
LogP2.21
Rot. Bonds6

About 1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane

1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane (PubChem CID 65007473) has the molecular formula C9H17BrO2 and a molecular weight of 237.14 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
PubChem CID65007473
Molecular FormulaC9H17BrO2
Molecular Weight237.14 g/mol
Exact Mass236.04
IUPAC Name1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
SMILESCOCCOCC1(CBr)CCC1
InChIInChI=1S/C9H17BrO2/c1-11-5-6-12-8-9(7-10)3-2-4-9/h2-8H2,1H3
InChIKeyNERMBCCSMCZQAK-UHFFFAOYSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 52.21
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

1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclopentane
CID 65001082
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789
1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane
CID 106447437
1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopentane
CID 114470059
1-(bromomethyl)-1-(3,3-dimethylbutoxymethyl)cyclohexane
CID 66234060
1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane
CID 103185009
[1-[2-(3-methoxypropoxy)ethoxymethyl]cyclobutyl]methanethiol
CID 103176260
[1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide
CID 65010433
1-(bromomethyl)-1-(2-cyclopropylethoxymethyl)cyclohexane
CID 106201182
1-(bromomethyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 65007526
1-(bromomethyl)-1-(2-methylpropoxymethyl)cyclohexane
CID 65001890

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane?
The IUPAC name of 1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane (CID 65007473) is 1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane?
The canonical SMILES for 1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane is COCCOCC1(CBr)CCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane?
The InChIKey is NERMBCCSMCZQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO2/c1-11-5-6-12-8-9(7-10)3-2-4-9/h2-8H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane?
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane has a molecular weight of 237.14 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane is sourced from PubChem (CID 65007473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).