(2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane

C11H23BrO2 — CID 129235426

IUPAC(2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane
SMILESCCO[C@H](C)CC(C)(C)[C@H](CBr)OC
InChIInChI=1S/C11H23BrO2/c1-6-14-9(2)7-11(3,4)10(8-12)13-5/h9-10H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyPBJFQGJGUROFKJ-ZJUUUORDSA-N
MW267.21 g/mol
LogP3.24
Rot. Bonds7

About (2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane

(2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane (PubChem CID 129235426) has the molecular formula C11H23BrO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is (2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane.

Molecular Properties

Compound Name(2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane
PubChem CID129235426
Molecular FormulaC11H23BrO2
Molecular Weight267.21 g/mol
Exact Mass266.09
IUPAC Name(2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane
SMILESCCO[C@H](C)CC(C)(C)[C@H](CBr)OC
InChIInChI=1S/C11H23BrO2/c1-6-14-9(2)7-11(3,4)10(8-12)13-5/h9-10H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyPBJFQGJGUROFKJ-ZJUUUORDSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane?
The IUPAC name of (2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane (CID 129235426) is (2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane.
What is the SMILES notation for (2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane?
The canonical SMILES for (2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane is CCO[C@H](C)CC(C)(C)[C@H](CBr)OC.
What is the InChIKey of (2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane?
The InChIKey is PBJFQGJGUROFKJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H23BrO2/c1-6-14-9(2)7-11(3,4)10(8-12)13-5/h9-10H,6-8H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of (2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane?
(2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane has a molecular weight of 267.21 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane is sourced from PubChem (CID 129235426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).