(2R,3S)-2-butyl-3-propyloxirane

C9H18O — CID 13394975

IUPAC(2R,3S)-2-butyl-3-propyloxirane
SMILESCCCC[C@H]1O[C@H]1CCC
InChIInChI=1S/C9H18O/c1-3-5-7-9-8(10-9)6-4-2/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyIKNXPNNMKVOEMV-DTWKUNHWSA-N
MW142.24 g/mol
LogP2.74
Rot. Bonds5

About (2R,3S)-2-butyl-3-propyloxirane

(2R,3S)-2-butyl-3-propyloxirane (PubChem CID 13394975) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2R,3S)-2-butyl-3-propyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-butyl-3-propyloxirane
PubChem CID13394975
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2R,3S)-2-butyl-3-propyloxirane
SMILESCCCC[C@H]1O[C@H]1CCC
InChIInChI=1S/C9H18O/c1-3-5-7-9-8(10-9)6-4-2/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyIKNXPNNMKVOEMV-DTWKUNHWSA-N
XLogP2.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-butyl-3-propyloxirane?
The IUPAC name of (2R,3S)-2-butyl-3-propyloxirane (CID 13394975) is (2R,3S)-2-butyl-3-propyloxirane.
What is the SMILES notation for (2R,3S)-2-butyl-3-propyloxirane?
The canonical SMILES for (2R,3S)-2-butyl-3-propyloxirane is CCCC[C@H]1O[C@H]1CCC.
What is the InChIKey of (2R,3S)-2-butyl-3-propyloxirane?
The InChIKey is IKNXPNNMKVOEMV-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-7-9-8(10-9)6-4-2/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-2-butyl-3-propyloxirane?
(2R,3S)-2-butyl-3-propyloxirane has a molecular weight of 142.24 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-butyl-3-propyloxirane is sourced from PubChem (CID 13394975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).