1-bromo-2-(2-propoxyethoxy)cyclooctane

C13H25BrO2 — CID 114774148

IUPAC1-bromo-2-(2-propoxyethoxy)cyclooctane
SMILESCCCOCCOC1CCCCCCC1Br
InChIInChI=1S/C13H25BrO2/c1-2-9-15-10-11-16-13-8-6-4-3-5-7-12(13)14/h12-13H,2-11H2,1H3
InChIKeyHLSHJXRRJZQPPZ-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.92
Rot. Bonds6

About 1-bromo-2-(2-propoxyethoxy)cyclooctane

1-bromo-2-(2-propoxyethoxy)cyclooctane (PubChem CID 114774148) has the molecular formula C13H25BrO2 and a molecular weight of 293.25 g/mol. Its IUPAC name is 1-bromo-2-(2-propoxyethoxy)cyclooctane.

Molecular Properties

Compound Name1-bromo-2-(2-propoxyethoxy)cyclooctane
PubChem CID114774148
Molecular FormulaC13H25BrO2
Molecular Weight293.25 g/mol
Exact Mass292.10
IUPAC Name1-bromo-2-(2-propoxyethoxy)cyclooctane
SMILESCCCOCCOC1CCCCCCC1Br
InChIInChI=1S/C13H25BrO2/c1-2-9-15-10-11-16-13-8-6-4-3-5-7-12(13)14/h12-13H,2-11H2,1H3
InChIKeyHLSHJXRRJZQPPZ-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.92
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-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane
CID 104565568
2-(2-propoxyethoxy)cycloheptan-1-amine
CID 63685616
1-bromo-2-(3-methylbutoxy)cyclooctane
CID 114772941
2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
1-bromo-2-(3,3-dimethylbutoxy)cycloheptane
CID 66227351
1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
CID 62109249
1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane
CID 104674096
3-bromo-4-(2-propoxyethoxy)oxolane
CID 114774160
1-bromo-2-(2-methylpentoxy)cyclohexane
CID 103285067
1-bromo-2-(2-methylpropoxy)cyclohexane
CID 62111426
(2-bromocyclopentyl)oxymethylcyclohexane
CID 62384212
1-bromo-2-(4-methylpentoxy)cyclopentane
CID 62109918

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-propoxyethoxy)cyclooctane?
The IUPAC name of 1-bromo-2-(2-propoxyethoxy)cyclooctane (CID 114774148) is 1-bromo-2-(2-propoxyethoxy)cyclooctane.
What is the SMILES notation for 1-bromo-2-(2-propoxyethoxy)cyclooctane?
The canonical SMILES for 1-bromo-2-(2-propoxyethoxy)cyclooctane is CCCOCCOC1CCCCCCC1Br.
What is the InChIKey of 1-bromo-2-(2-propoxyethoxy)cyclooctane?
The InChIKey is HLSHJXRRJZQPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO2/c1-2-9-15-10-11-16-13-8-6-4-3-5-7-12(13)14/h12-13H,2-11H2,1H3.
What are the key properties of 1-bromo-2-(2-propoxyethoxy)cyclooctane?
1-bromo-2-(2-propoxyethoxy)cyclooctane has a molecular weight of 293.25 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-propoxyethoxy)cyclooctane is sourced from PubChem (CID 114774148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).