(2R,6S)-4-bromo-2,6-diethyloxane

C9H17BrO — CID 166449038

IUPAC(2R,6S)-4-bromo-2,6-diethyloxane
SMILESCC[C@@H]1CC(Br)C[C@H](CC)O1
InChIInChI=1S/C9H17BrO/c1-3-8-5-7(10)6-9(4-2)11-8/h7-9H,3-6H2,1-2H3/t7?,8-,9+
InChIKeyYJCZKZKLUYFCSI-CBLAIPOGSA-N
MW221.14 g/mol
LogP3.12
Rot. Bonds2

About (2R,6S)-4-bromo-2,6-diethyloxane

(2R,6S)-4-bromo-2,6-diethyloxane (PubChem CID 166449038) has the molecular formula C9H17BrO and a molecular weight of 221.14 g/mol. Its IUPAC name is (2R,6S)-4-bromo-2,6-diethyloxane.

Molecular Properties

Compound Name(2R,6S)-4-bromo-2,6-diethyloxane
PubChem CID166449038
Molecular FormulaC9H17BrO
Molecular Weight221.14 g/mol
Exact Mass220.05
IUPAC Name(2R,6S)-4-bromo-2,6-diethyloxane
SMILESCC[C@@H]1CC(Br)C[C@H](CC)O1
InChIInChI=1S/C9H17BrO/c1-3-8-5-7(10)6-9(4-2)11-8/h7-9H,3-6H2,1-2H3/t7?,8-,9+
InChIKeyYJCZKZKLUYFCSI-CBLAIPOGSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,6S)-4-bromo-2,6-diethyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Bromoethyl)oxane
CID 12791586
rac-(2R,4R)-4-bromo-2-methyloxane
CID 124486299
3-Bromo-2-ethyltetrahydropyran
CID 543726
trans-(1R,2R)-1-bromo-2-methoxycyclooctane
CID 12522561
2-(4-Bromobutyl)oxane
CID 11790746
1-Bromo-10-ethoxydecane
CID 16744784
Decyloxybutylbromide
CID 90319712
(2R,6S)-4-bromo-2,6-dimethyloxane
CID 96839690
(4R)-3-bromo-4-fluoro-7-methoxydecane
CID 139440435
3-Bromo-2-methyloxane
CID 3378149
(2S,3R)-2-(bromomethyl)-3-octyloxirane
CID 10966882
cis-4-Bromo-2,6-dipropyltetrahydropyran
CID 13759081

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-bromo-2,6-diethyloxane?
The IUPAC name of (2R,6S)-4-bromo-2,6-diethyloxane (CID 166449038) is (2R,6S)-4-bromo-2,6-diethyloxane.
What is the SMILES notation for (2R,6S)-4-bromo-2,6-diethyloxane?
The canonical SMILES for (2R,6S)-4-bromo-2,6-diethyloxane is CC[C@@H]1CC(Br)C[C@H](CC)O1.
What is the InChIKey of (2R,6S)-4-bromo-2,6-diethyloxane?
The InChIKey is YJCZKZKLUYFCSI-CBLAIPOGSA-N. The full InChI is InChI=1S/C9H17BrO/c1-3-8-5-7(10)6-9(4-2)11-8/h7-9H,3-6H2,1-2H3/t7?,8-,9+.
What are the key properties of (2R,6S)-4-bromo-2,6-diethyloxane?
(2R,6S)-4-bromo-2,6-diethyloxane has a molecular weight of 221.14 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-bromo-2,6-diethyloxane is sourced from PubChem (CID 166449038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).