1-bromo-2-(2-bromoethoxy)cyclooctane

C10H18Br2O — CID 15584247

IUPAC1-bromo-2-(2-bromoethoxy)cyclooctane
SMILESBrCCOC1CCCCCCC1Br
InChIInChI=1S/C10H18Br2O/c11-7-8-13-10-6-4-2-1-3-5-9(10)12/h9-10H,1-8H2
InChIKeyQNUZIJRDPPXHTO-UHFFFAOYSA-N
MW314.06 g/mol
LogP3.88
Rot. Bonds3

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

1-bromo-2-(2-bromoethoxy)cyclooctane (PubChem CID 15584247) has the molecular formula C10H18Br2O and a molecular weight of 314.06 g/mol. Its IUPAC name is 1-bromo-2-(2-bromoethoxy)cyclooctane.

Molecular Properties

Compound Name1-bromo-2-(2-bromoethoxy)cyclooctane
PubChem CID15584247
Molecular FormulaC10H18Br2O
Molecular Weight314.06 g/mol
Exact Mass311.97
IUPAC Name1-bromo-2-(2-bromoethoxy)cyclooctane
SMILESBrCCOC1CCCCCCC1Br
InChIInChI=1S/C10H18Br2O/c11-7-8-13-10-6-4-2-1-3-5-9(10)12/h9-10H,1-8H2
InChIKeyQNUZIJRDPPXHTO-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.06
LogP ≤ 53.88
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 1-bromo-2-(2-bromoethoxy)cyclooctane?
The IUPAC name of 1-bromo-2-(2-bromoethoxy)cyclooctane (CID 15584247) is 1-bromo-2-(2-bromoethoxy)cyclooctane.
What is the SMILES notation for 1-bromo-2-(2-bromoethoxy)cyclooctane?
The canonical SMILES for 1-bromo-2-(2-bromoethoxy)cyclooctane is BrCCOC1CCCCCCC1Br.
What is the InChIKey of 1-bromo-2-(2-bromoethoxy)cyclooctane?
The InChIKey is QNUZIJRDPPXHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br2O/c11-7-8-13-10-6-4-2-1-3-5-9(10)12/h9-10H,1-8H2.
What are the key properties of 1-bromo-2-(2-bromoethoxy)cyclooctane?
1-bromo-2-(2-bromoethoxy)cyclooctane has a molecular weight of 314.06 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-bromoethoxy)cyclooctane is sourced from PubChem (CID 15584247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).