1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane

C12H23BrO2 — CID 65001789

IUPAC1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
SMILESCCOCCOCC1(CBr)CCCCC1
InChIInChI=1S/C12H23BrO2/c1-2-14-8-9-15-11-12(10-13)6-4-3-5-7-12/h2-11H2,1H3
InChIKeyVSDBAGOHQWYWIF-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.38
Rot. Bonds7

About 1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane

1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane (PubChem CID 65001789) has the molecular formula C12H23BrO2 and a molecular weight of 279.22 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
PubChem CID65001789
Molecular FormulaC12H23BrO2
Molecular Weight279.22 g/mol
Exact Mass278.09
IUPAC Name1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
SMILESCCOCCOCC1(CBr)CCCCC1
InChIInChI=1S/C12H23BrO2/c1-2-14-8-9-15-11-12(10-13)6-4-3-5-7-12/h2-11H2,1H3
InChIKeyVSDBAGOHQWYWIF-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.38
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-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane
CID 106447437
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
CID 65007473
1-(bromomethyl)-1-(3,3-dimethylbutoxymethyl)cyclohexane
CID 66234060
1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopentane
CID 114470059
1-(bromomethyl)-1-(2-cyclopropylethoxymethyl)cyclohexane
CID 106201182
1-(bromomethyl)-1-(2-methylpropoxymethyl)cyclohexane
CID 65001890
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine
CID 81062701
1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane
CID 62112037
1-(bromomethyl)-1-(heptoxymethyl)cyclopropane
CID 65008372
1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane
CID 65002451
1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane
CID 65010010

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane?
The IUPAC name of 1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane (CID 65001789) is 1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane is CCOCCOCC1(CBr)CCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane?
The InChIKey is VSDBAGOHQWYWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO2/c1-2-14-8-9-15-11-12(10-13)6-4-3-5-7-12/h2-11H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane?
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane has a molecular weight of 279.22 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane is sourced from PubChem (CID 65001789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).