(2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane

C13H10O — CID 102368592

IUPAC(2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane
SMILESCC#CC#CC#C/C=C/[C@@H]1[C@H](O1)C=C
InChIInChI=1S/C13H10O/c1-3-5-6-7-8-9-10-11-13-12(4-2)14-13/h4,10-13H,2H2,1H3/b11-10+/t12-,13-/m1/s1
InChIKeyZJMXHGIVVFPAJY-HRFIDBLHSA-N
MW182.22 g/mol
LogP2.60
Rot. Bonds4

About (2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane

(2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane (PubChem CID 102368592) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane.

Molecular Properties

Compound Name(2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane
PubChem CID102368592
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name(2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane
SMILESCC#CC#CC#C/C=C/[C@@H]1[C@H](O1)C=C
InChIInChI=1S/C13H10O/c1-3-5-6-7-8-9-10-11-13-12(4-2)14-13/h4,10-13H,2H2,1H3/b11-10+/t12-,13-/m1/s1
InChIKeyZJMXHGIVVFPAJY-HRFIDBLHSA-N
XLogP2.60
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity441

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.60
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]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,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane?
The IUPAC name of (2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane (CID 102368592) is (2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane.
What is the SMILES notation for (2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane?
The canonical SMILES for (2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane is CC#CC#CC#C/C=C/[C@@H]1[C@H](O1)C=C.
What is the InChIKey of (2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane?
The InChIKey is ZJMXHGIVVFPAJY-HRFIDBLHSA-N. The full InChI is InChI=1S/C13H10O/c1-3-5-6-7-8-9-10-11-13-12(4-2)14-13/h4,10-13H,2H2,1H3/b11-10+/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane?
(2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane has a molecular weight of 182.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane is sourced from PubChem (CID 102368592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).