(2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane

C10H18O — CID 134931762

IUPAC(2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane
SMILESCCC/C=C/[C@H]1O[C@@H]1CCC
InChIInChI=1S/C10H18O/c1-3-5-6-8-10-9(11-10)7-4-2/h6,8-10H,3-5,7H2,1-2H3/b8-6+/t9-,10-/m1/s1
InChIKeyUQBOWMHBDDYUHA-IZRRHEBBSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds5

About (2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane

(2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane (PubChem CID 134931762) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane
PubChem CID134931762
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane
SMILESCCC/C=C/[C@H]1O[C@@H]1CCC
InChIInChI=1S/C10H18O/c1-3-5-6-8-10-9(11-10)7-4-2/h6,8-10H,3-5,7H2,1-2H3/b8-6+/t9-,10-/m1/s1
InChIKeyUQBOWMHBDDYUHA-IZRRHEBBSA-N
XLogP2.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane?
The IUPAC name of (2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane (CID 134931762) is (2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane.
What is the SMILES notation for (2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane?
The canonical SMILES for (2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane is CCC/C=C/[C@H]1O[C@@H]1CCC.
What is the InChIKey of (2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane?
The InChIKey is UQBOWMHBDDYUHA-IZRRHEBBSA-N. The full InChI is InChI=1S/C10H18O/c1-3-5-6-8-10-9(11-10)7-4-2/h6,8-10H,3-5,7H2,1-2H3/b8-6+/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane?
(2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(E)-pent-1-enyl]-3-propyloxirane is sourced from PubChem (CID 134931762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).