(2R,6R)-4-bromo-2,6-dimethyloxane

C7H13BrO — CID 96839693

IUPAC(2R,6R)-4-bromo-2,6-dimethyloxane
SMILESC[C@@H]1CC(Br)C[C@@H](C)O1
InChIInChI=1S/C7H13BrO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyJARBCNALBGKFFF-PHDIDXHHSA-N
MW193.08 g/mol
LogP2.34
Rot. Bonds

About (2R,6R)-4-bromo-2,6-dimethyloxane

(2R,6R)-4-bromo-2,6-dimethyloxane (PubChem CID 96839693) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is (2R,6R)-4-bromo-2,6-dimethyloxane.

Molecular Properties

Compound Name(2R,6R)-4-bromo-2,6-dimethyloxane
PubChem CID96839693
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name(2R,6R)-4-bromo-2,6-dimethyloxane
SMILESC[C@@H]1CC(Br)C[C@@H](C)O1
InChIInChI=1S/C7H13BrO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyJARBCNALBGKFFF-PHDIDXHHSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-methylcyclobutane
CID 14372773
(2R,6S)-2,6-dimethyloxane-4-thiol
CID 86706716
(2R,6R)-4-chloro-2,6-dimethyloxane
CID 124564332
(2S)-4-methoxy-2,6-dimethyloxane
CID 142449204
2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane
CID 162224348
(2S)-2,5-dimethyloxolane
CID 118613003
4-[(2R,4S,6R)-4-bromo-6-methyloxan-2-yl]-1-cyclopropylpyrazole
CID 157045012
(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine
CID 97358274
[(2R)-2,6-dimethyloxan-4-yl]methanol
CID 69262648
2-iodo-4,6-dimethyl-1,3-dioxane
CID 129213139
[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid
CID 163654714
2-methyl-4-(trifluoromethyl)oxetane
CID 162568381

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-bromo-2,6-dimethyloxane?
The IUPAC name of (2R,6R)-4-bromo-2,6-dimethyloxane (CID 96839693) is (2R,6R)-4-bromo-2,6-dimethyloxane.
What is the SMILES notation for (2R,6R)-4-bromo-2,6-dimethyloxane?
The canonical SMILES for (2R,6R)-4-bromo-2,6-dimethyloxane is C[C@@H]1CC(Br)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-bromo-2,6-dimethyloxane?
The InChIKey is JARBCNALBGKFFF-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13BrO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2R,6R)-4-bromo-2,6-dimethyloxane?
(2R,6R)-4-bromo-2,6-dimethyloxane has a molecular weight of 193.08 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-bromo-2,6-dimethyloxane is sourced from PubChem (CID 96839693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).