1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane

C11H21BrO2 — CID 103185009

IUPAC1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane
SMILESCOCCCOCCC1(CBr)CCC1
InChIInChI=1S/C11H21BrO2/c1-13-7-3-8-14-9-6-11(10-12)4-2-5-11/h2-10H2,1H3
InChIKeyRZUWGOYXKGZKIP-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.99
Rot. Bonds8

About 1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane

1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane (PubChem CID 103185009) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane.

Molecular Properties

Compound Name1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane
PubChem CID103185009
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane
SMILESCOCCCOCCC1(CBr)CCC1
InChIInChI=1S/C11H21BrO2/c1-13-7-3-8-14-9-6-11(10-12)4-2-5-11/h2-10H2,1H3
InChIKeyRZUWGOYXKGZKIP-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.99
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-butoxyethyl)cyclopentane
CID 66048902
1-[2-(3-methoxypropoxy)ethyl]cyclobutan-1-amine
CID 103184766
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
CID 65007473
[1-[2-(3-methoxypropoxy)ethoxymethyl]cyclobutyl]methanethiol
CID 103176260
N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65009847
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclopentane
CID 65001082
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363
ethane;[1-(2-methoxyethyl)cyclobutyl]methanamine
CID 156798324
3-[2-(3-methoxypropoxy)ethyl]-3-propylazetidine
CID 103185145
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
1-(bromomethyl)-4-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexane
CID 103415388

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane?
The IUPAC name of 1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane (CID 103185009) is 1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane.
What is the SMILES notation for 1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane?
The canonical SMILES for 1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane is COCCCOCCC1(CBr)CCC1.
What is the InChIKey of 1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane?
The InChIKey is RZUWGOYXKGZKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-13-7-3-8-14-9-6-11(10-12)4-2-5-11/h2-10H2,1H3.
What are the key properties of 1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane?
1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane has a molecular weight of 265.19 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane is sourced from PubChem (CID 103185009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).