(3R)-3-(bromomethyl)-3-methyloxane

C7H13BrO — CID 124636948

IUPAC(3R)-3-(bromomethyl)-3-methyloxane
SMILESC[C@@]1(CBr)CCCOC1
InChIInChI=1S/C7H13BrO/c1-7(5-8)3-2-4-9-6-7/h2-6H2,1H3/t7-/m0/s1
InChIKeyPMJMYYWQCAGPSB-ZETCQYMHSA-N
MW193.08 g/mol
LogP2.20
Rot. Bonds1

About (3R)-3-(bromomethyl)-3-methyloxane

(3R)-3-(bromomethyl)-3-methyloxane (PubChem CID 124636948) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is (3R)-3-(bromomethyl)-3-methyloxane.

Molecular Properties

Compound Name(3R)-3-(bromomethyl)-3-methyloxane
PubChem CID124636948
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name(3R)-3-(bromomethyl)-3-methyloxane
SMILESC[C@@]1(CBr)CCCOC1
InChIInChI=1S/C7H13BrO/c1-7(5-8)3-2-4-9-6-7/h2-6H2,1H3/t7-/m0/s1
InChIKeyPMJMYYWQCAGPSB-ZETCQYMHSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.20
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

3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 171453937
methanidyl-[(3-methyloxan-3-yl)methyl]azanium
CID 155624871
N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine
CID 94930520
4-(bromomethyl)-4-methyloxane
CID 64985111
1-(bromomethyl)-1-methylcycloheptane
CID 131000310
3-(bromomethyl)-3-(2-methylprop-2-enyl)oxane
CID 165445953
3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane
CID 159963583
3-(bromomethyl)-3-hexyloxane
CID 66041468
ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
CID 144998741
(3-methyloxolan-3-yl)methanethiol
CID 155973621
3-(bromomethyl)-3-(2-ethoxyethyl)oxane
CID 66042265
3-methyl-3-(2-methylbutan-2-yl)oxane
CID 144692005

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(bromomethyl)-3-methyloxane?
The IUPAC name of (3R)-3-(bromomethyl)-3-methyloxane (CID 124636948) is (3R)-3-(bromomethyl)-3-methyloxane.
What is the SMILES notation for (3R)-3-(bromomethyl)-3-methyloxane?
The canonical SMILES for (3R)-3-(bromomethyl)-3-methyloxane is C[C@@]1(CBr)CCCOC1.
What is the InChIKey of (3R)-3-(bromomethyl)-3-methyloxane?
The InChIKey is PMJMYYWQCAGPSB-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13BrO/c1-7(5-8)3-2-4-9-6-7/h2-6H2,1H3/t7-/m0/s1.
What are the key properties of (3R)-3-(bromomethyl)-3-methyloxane?
(3R)-3-(bromomethyl)-3-methyloxane has a molecular weight of 193.08 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(bromomethyl)-3-methyloxane is sourced from PubChem (CID 124636948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).