1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane

C11H21BrO2 — CID 62108153

IUPAC1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane
SMILESCOCCOC1(CBr)CCCCCC1
InChIInChI=1S/C11H21BrO2/c1-13-8-9-14-11(10-12)6-4-2-3-5-7-11/h2-10H2,1H3
InChIKeyWDADTAMOILCORP-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.14
Rot. Bonds5

About 1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane

1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane (PubChem CID 62108153) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane
PubChem CID62108153
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane
SMILESCOCCOC1(CBr)CCCCCC1
InChIInChI=1S/C11H21BrO2/c1-13-8-9-14-11(10-12)6-4-2-3-5-7-11/h2-10H2,1H3
InChIKeyWDADTAMOILCORP-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane?
The IUPAC name of 1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane (CID 62108153) is 1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane?
The canonical SMILES for 1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane is COCCOC1(CBr)CCCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane?
The InChIKey is WDADTAMOILCORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-13-8-9-14-11(10-12)6-4-2-3-5-7-11/h2-10H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane?
1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane has a molecular weight of 265.19 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-methoxyethoxy)cycloheptane is sourced from PubChem (CID 62108153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).