(2S)-1-bromo-2-methoxypropane

C4H9BrO — CID 92859710

IUPAC(2S)-1-bromo-2-methoxypropane
SMILESCO[C@@H](C)CBr
InChIInChI=1S/C4H9BrO/c1-4(3-5)6-2/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyULHBRIULGNSYDP-BYPYZUCNSA-N
MW153.02 g/mol
LogP1.42
Rot. Bonds2

About (2S)-1-bromo-2-methoxypropane

(2S)-1-bromo-2-methoxypropane (PubChem CID 92859710) has the molecular formula C4H9BrO and a molecular weight of 153.02 g/mol. Its IUPAC name is (2S)-1-bromo-2-methoxypropane.

Molecular Properties

Compound Name(2S)-1-bromo-2-methoxypropane
PubChem CID92859710
Molecular FormulaC4H9BrO
Molecular Weight153.02 g/mol
Exact Mass151.98
IUPAC Name(2S)-1-bromo-2-methoxypropane
SMILESCO[C@@H](C)CBr
InChIInChI=1S/C4H9BrO/c1-4(3-5)6-2/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyULHBRIULGNSYDP-BYPYZUCNSA-N
XLogP1.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.02
LogP ≤ 51.42
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-4-methoxybutane
CID 521168
1-Bromo-3-ethoxypropane
CID 260493
1-Bromo-3-methoxypropane
CID 524551
2-(2-Bromoethoxy)propane
CID 3830823
1,5-Dibromo-3-methoxypentane
CID 58197730
1-Bromo-2-methoxybutane
CID 523983
1-Bromo-2-methoxypropane
CID 524021
2-Bromo-3-methoxybutane
CID 523956
1-Bromo-3-(propan-2-yloxy)propane
CID 12613777
1-Bromo-3-ethoxybutane
CID 12927224
1-Bromo-2-methyl-2-(propan-2-yloxy)propane
CID 18966838
1-Bromo-4-(propan-2-yloxy)butane
CID 21434041

Frequently Asked Questions

What is the IUPAC name of (2S)-1-bromo-2-methoxypropane?
The IUPAC name of (2S)-1-bromo-2-methoxypropane (CID 92859710) is (2S)-1-bromo-2-methoxypropane.
What is the SMILES notation for (2S)-1-bromo-2-methoxypropane?
The canonical SMILES for (2S)-1-bromo-2-methoxypropane is CO[C@@H](C)CBr.
What is the InChIKey of (2S)-1-bromo-2-methoxypropane?
The InChIKey is ULHBRIULGNSYDP-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9BrO/c1-4(3-5)6-2/h4H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-1-bromo-2-methoxypropane?
(2S)-1-bromo-2-methoxypropane has a molecular weight of 153.02 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-bromo-2-methoxypropane is sourced from PubChem (CID 92859710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).