(2-bromo-1-methoxyethyl)cyclohexane

C9H17BrO — CID 122164135

IUPAC(2-bromo-1-methoxyethyl)cyclohexane
SMILESCOC(CBr)C1CCCCC1
InChIInChI=1S/C9H17BrO/c1-11-9(7-10)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
InChIKeyOLTZMHWMEBELEV-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.98
Rot. Bonds3

About (2-bromo-1-methoxyethyl)cyclohexane

(2-bromo-1-methoxyethyl)cyclohexane (PubChem CID 122164135) has the molecular formula C9H17BrO and a molecular weight of 221.14 g/mol. Its IUPAC name is (2-bromo-1-methoxyethyl)cyclohexane.

Molecular Properties

Compound Name(2-bromo-1-methoxyethyl)cyclohexane
PubChem CID122164135
Molecular FormulaC9H17BrO
Molecular Weight221.14 g/mol
Exact Mass220.05
IUPAC Name(2-bromo-1-methoxyethyl)cyclohexane
SMILESCOC(CBr)C1CCCCC1
InChIInChI=1S/C9H17BrO/c1-11-9(7-10)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
InChIKeyOLTZMHWMEBELEV-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-1-methoxyethyl)cyclohexane?
The IUPAC name of (2-bromo-1-methoxyethyl)cyclohexane (CID 122164135) is (2-bromo-1-methoxyethyl)cyclohexane.
What is the SMILES notation for (2-bromo-1-methoxyethyl)cyclohexane?
The canonical SMILES for (2-bromo-1-methoxyethyl)cyclohexane is COC(CBr)C1CCCCC1.
What is the InChIKey of (2-bromo-1-methoxyethyl)cyclohexane?
The InChIKey is OLTZMHWMEBELEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO/c1-11-9(7-10)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3.
What are the key properties of (2-bromo-1-methoxyethyl)cyclohexane?
(2-bromo-1-methoxyethyl)cyclohexane has a molecular weight of 221.14 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-methoxyethyl)cyclohexane is sourced from PubChem (CID 122164135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).