(2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane

C8H14O — CID 89056438

IUPAC(2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane
SMILESC/C=C/[C@@H](C)C[C@@H]1CO1
InChIInChI=1S/C8H14O/c1-3-4-7(2)5-8-6-9-8/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8-/m1/s1
InChIKeyRLEIAPOFPLBELW-ATXJSMISSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds3

About (2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane

(2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane (PubChem CID 89056438) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane
PubChem CID89056438
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane
SMILESC/C=C/[C@@H](C)C[C@@H]1CO1
InChIInChI=1S/C8H14O/c1-3-4-7(2)5-8-6-9-8/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8-/m1/s1
InChIKeyRLEIAPOFPLBELW-ATXJSMISSA-N
XLogP1.99
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
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'}

Analyze (2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane 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)-2-[(E,2S)-2-methylpent-3-enyl]oxirane?
The IUPAC name of (2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane (CID 89056438) is (2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane.
What is the SMILES notation for (2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane?
The canonical SMILES for (2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane is C/C=C/[C@@H](C)C[C@@H]1CO1.
What is the InChIKey of (2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane?
The InChIKey is RLEIAPOFPLBELW-ATXJSMISSA-N. The full InChI is InChI=1S/C8H14O/c1-3-4-7(2)5-8-6-9-8/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8-/m1/s1.
What are the key properties of (2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane?
(2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E,2S)-2-methylpent-3-enyl]oxirane is sourced from PubChem (CID 89056438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).