(2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane

C8H17BrO2 — CID 23636466

IUPAC(2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane
SMILESCOCOC[C@H](C)CCCBr
InChIInChI=1S/C8H17BrO2/c1-8(4-3-5-9)6-11-7-10-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyAULZPKRQOJGOHL-MRVPVSSYSA-N
MW225.13 g/mol
LogP2.42
Rot. Bonds7

About (2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane

(2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane (PubChem CID 23636466) has the molecular formula C8H17BrO2 and a molecular weight of 225.13 g/mol. Its IUPAC name is (2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane.

Molecular Properties

Compound Name(2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane
PubChem CID23636466
Molecular FormulaC8H17BrO2
Molecular Weight225.13 g/mol
Exact Mass224.04
IUPAC Name(2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane
SMILESCOCOC[C@H](C)CCCBr
InChIInChI=1S/C8H17BrO2/c1-8(4-3-5-9)6-11-7-10-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyAULZPKRQOJGOHL-MRVPVSSYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane?
The IUPAC name of (2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane (CID 23636466) is (2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane.
What is the SMILES notation for (2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane?
The canonical SMILES for (2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane is COCOC[C@H](C)CCCBr.
What is the InChIKey of (2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane?
The InChIKey is AULZPKRQOJGOHL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17BrO2/c1-8(4-3-5-9)6-11-7-10-2/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane?
(2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane has a molecular weight of 225.13 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane is sourced from PubChem (CID 23636466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).