(2R)-2-[(1R)-1-bromopropyl]oxirane

C5H9BrO — CID 86648813

IUPAC(2R)-2-[(1R)-1-bromopropyl]oxirane
SMILESCC[C@@H](Br)[C@H]1CO1
InChIInChI=1S/C5H9BrO/c1-2-4(6)5-3-7-5/h4-5H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeySLJCDGUZBPNXDS-RFZPGFLSSA-N
MW165.03 g/mol
LogP1.56
Rot. Bonds2

About (2R)-2-[(1R)-1-bromopropyl]oxirane

(2R)-2-[(1R)-1-bromopropyl]oxirane (PubChem CID 86648813) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-bromopropyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-bromopropyl]oxirane
PubChem CID86648813
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name(2R)-2-[(1R)-1-bromopropyl]oxirane
SMILESCC[C@@H](Br)[C@H]1CO1
InChIInChI=1S/C5H9BrO/c1-2-4(6)5-3-7-5/h4-5H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeySLJCDGUZBPNXDS-RFZPGFLSSA-N
XLogP1.56
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-bromopropyl]oxirane?
The IUPAC name of (2R)-2-[(1R)-1-bromopropyl]oxirane (CID 86648813) is (2R)-2-[(1R)-1-bromopropyl]oxirane.
What is the SMILES notation for (2R)-2-[(1R)-1-bromopropyl]oxirane?
The canonical SMILES for (2R)-2-[(1R)-1-bromopropyl]oxirane is CC[C@@H](Br)[C@H]1CO1.
What is the InChIKey of (2R)-2-[(1R)-1-bromopropyl]oxirane?
The InChIKey is SLJCDGUZBPNXDS-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H9BrO/c1-2-4(6)5-3-7-5/h4-5H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-bromopropyl]oxirane?
(2R)-2-[(1R)-1-bromopropyl]oxirane has a molecular weight of 165.03 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-bromopropyl]oxirane is sourced from PubChem (CID 86648813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).