8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane

C11H19BrO — CID 123370888

IUPAC8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane
SMILESCC(CBr)C1C2CCC1(C)COC2
InChIInChI=1S/C11H19BrO/c1-8(5-12)10-9-3-4-11(10,2)7-13-6-9/h8-10H,3-7H2,1-2H3
InChIKeyWTIQWXZQJIRITO-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.08
Rot. Bonds2

About 8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane

8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane (PubChem CID 123370888) has the molecular formula C11H19BrO and a molecular weight of 247.18 g/mol. Its IUPAC name is 8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane
PubChem CID123370888
Molecular FormulaC11H19BrO
Molecular Weight247.18 g/mol
Exact Mass246.06
IUPAC Name8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane
SMILESCC(CBr)C1C2CCC1(C)COC2
InChIInChI=1S/C11H19BrO/c1-8(5-12)10-9-3-4-11(10,2)7-13-6-9/h8-10H,3-7H2,1-2H3
InChIKeyWTIQWXZQJIRITO-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane?
The IUPAC name of 8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane (CID 123370888) is 8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane?
The canonical SMILES for 8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane is CC(CBr)C1C2CCC1(C)COC2.
What is the InChIKey of 8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane?
The InChIKey is WTIQWXZQJIRITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO/c1-8(5-12)10-9-3-4-11(10,2)7-13-6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane?
8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane has a molecular weight of 247.18 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-bromopropan-2-yl)-1-methyl-3-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 123370888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).