(6R)-6-(bromomethyl)-6-methyloxan-2-one

C7H11BrO2 — CID 130680527

IUPAC(6R)-6-(bromomethyl)-6-methyloxan-2-one
SMILESC[C@]1(CBr)CCCC(=O)O1
InChIInChI=1S/C7H11BrO2/c1-7(5-8)4-2-3-6(9)10-7/h2-5H2,1H3/t7-/m1/s1
InChIKeyLBUCOENWAGXTDM-SSDOTTSWSA-N
MW207.07 g/mol
LogP1.87
Rot. Bonds1

About (6R)-6-(bromomethyl)-6-methyloxan-2-one

(6R)-6-(bromomethyl)-6-methyloxan-2-one (PubChem CID 130680527) has the molecular formula C7H11BrO2 and a molecular weight of 207.07 g/mol. Its IUPAC name is (6R)-6-(bromomethyl)-6-methyloxan-2-one.

Molecular Properties

Compound Name(6R)-6-(bromomethyl)-6-methyloxan-2-one
PubChem CID130680527
Molecular FormulaC7H11BrO2
Molecular Weight207.07 g/mol
Exact Mass205.99
IUPAC Name(6R)-6-(bromomethyl)-6-methyloxan-2-one
SMILESC[C@]1(CBr)CCCC(=O)O1
InChIInChI=1S/C7H11BrO2/c1-7(5-8)4-2-3-6(9)10-7/h2-5H2,1H3/t7-/m1/s1
InChIKeyLBUCOENWAGXTDM-SSDOTTSWSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 51.87
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 (6R)-6-(bromomethyl)-6-methyloxan-2-one?
The IUPAC name of (6R)-6-(bromomethyl)-6-methyloxan-2-one (CID 130680527) is (6R)-6-(bromomethyl)-6-methyloxan-2-one.
What is the SMILES notation for (6R)-6-(bromomethyl)-6-methyloxan-2-one?
The canonical SMILES for (6R)-6-(bromomethyl)-6-methyloxan-2-one is C[C@]1(CBr)CCCC(=O)O1.
What is the InChIKey of (6R)-6-(bromomethyl)-6-methyloxan-2-one?
The InChIKey is LBUCOENWAGXTDM-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11BrO2/c1-7(5-8)4-2-3-6(9)10-7/h2-5H2,1H3/t7-/m1/s1.
What are the key properties of (6R)-6-(bromomethyl)-6-methyloxan-2-one?
(6R)-6-(bromomethyl)-6-methyloxan-2-one has a molecular weight of 207.07 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(bromomethyl)-6-methyloxan-2-one is sourced from PubChem (CID 130680527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).