(4R)-1-bromo-4-chloro-2-ethylcyclooctane

C10H18BrCl — CID 129067859

IUPAC(4R)-1-bromo-4-chloro-2-ethylcyclooctane
SMILESCCC1C[C@H](Cl)CCCCC1Br
InChIInChI=1S/C10H18BrCl/c1-2-8-7-9(12)5-3-4-6-10(8)11/h8-10H,2-7H2,1H3/t8?,9-,10?/m1/s1
InChIKeyZQAKKAPTIUXYLI-HWOCKDDLSA-N
MW253.61 g/mol
LogP4.35
Rot. Bonds1

About (4R)-1-bromo-4-chloro-2-ethylcyclooctane

(4R)-1-bromo-4-chloro-2-ethylcyclooctane (PubChem CID 129067859) has the molecular formula C10H18BrCl and a molecular weight of 253.61 g/mol. Its IUPAC name is (4R)-1-bromo-4-chloro-2-ethylcyclooctane.

Molecular Properties

Compound Name(4R)-1-bromo-4-chloro-2-ethylcyclooctane
PubChem CID129067859
Molecular FormulaC10H18BrCl
Molecular Weight253.61 g/mol
Exact Mass252.03
IUPAC Name(4R)-1-bromo-4-chloro-2-ethylcyclooctane
SMILESCCC1C[C@H](Cl)CCCCC1Br
InChIInChI=1S/C10H18BrCl/c1-2-8-7-9(12)5-3-4-6-10(8)11/h8-10H,2-7H2,1H3/t8?,9-,10?/m1/s1
InChIKeyZQAKKAPTIUXYLI-HWOCKDDLSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (4R)-1-bromo-4-chloro-2-ethylcyclooctane?
The IUPAC name of (4R)-1-bromo-4-chloro-2-ethylcyclooctane (CID 129067859) is (4R)-1-bromo-4-chloro-2-ethylcyclooctane.
What is the SMILES notation for (4R)-1-bromo-4-chloro-2-ethylcyclooctane?
The canonical SMILES for (4R)-1-bromo-4-chloro-2-ethylcyclooctane is CCC1C[C@H](Cl)CCCCC1Br.
What is the InChIKey of (4R)-1-bromo-4-chloro-2-ethylcyclooctane?
The InChIKey is ZQAKKAPTIUXYLI-HWOCKDDLSA-N. The full InChI is InChI=1S/C10H18BrCl/c1-2-8-7-9(12)5-3-4-6-10(8)11/h8-10H,2-7H2,1H3/t8?,9-,10?/m1/s1.
What are the key properties of (4R)-1-bromo-4-chloro-2-ethylcyclooctane?
(4R)-1-bromo-4-chloro-2-ethylcyclooctane has a molecular weight of 253.61 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-bromo-4-chloro-2-ethylcyclooctane is sourced from PubChem (CID 129067859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).