1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane

C11H21BrO2 — CID 62109249

IUPAC1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
SMILESCC(C)OCCOC1CCCCC1Br
InChIInChI=1S/C11H21BrO2/c1-9(2)13-7-8-14-11-6-4-3-5-10(11)12/h9-11H,3-8H2,1-2H3
InChIKeyMNRHFWJDRRQVLT-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.13
Rot. Bonds5

About 1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane

1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane (PubChem CID 62109249) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane.

Molecular Properties

Compound Name1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
PubChem CID62109249
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
SMILESCC(C)OCCOC1CCCCC1Br
InChIInChI=1S/C11H21BrO2/c1-9(2)13-7-8-14-11-6-4-3-5-10(11)12/h9-11H,3-8H2,1-2H3
InChIKeyMNRHFWJDRRQVLT-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane?
The IUPAC name of 1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane (CID 62109249) is 1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane.
What is the SMILES notation for 1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane?
The canonical SMILES for 1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane is CC(C)OCCOC1CCCCC1Br.
What is the InChIKey of 1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane?
The InChIKey is MNRHFWJDRRQVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-9(2)13-7-8-14-11-6-4-3-5-10(11)12/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane?
1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane has a molecular weight of 265.19 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane is sourced from PubChem (CID 62109249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).