2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane

C15H24O — CID 45095375

IUPAC2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane
SMILESC#C/C(=C\C1OC1(C)CC)CCCCCC
InChIInChI=1S/C15H24O/c1-5-8-9-10-11-13(6-2)12-14-15(4,7-3)16-14/h2,12,14H,5,7-11H2,1,3-4H3/b13-12+
InChIKeyVDZPUXCRKSPERH-OUKQBFOZSA-N
MW220.36 g/mol
LogP4.08
Rot. Bonds7

About 2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane

2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane (PubChem CID 45095375) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane.

Molecular Properties

Compound Name2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane
PubChem CID45095375
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane
SMILESC#C/C(=C\C1OC1(C)CC)CCCCCC
InChIInChI=1S/C15H24O/c1-5-8-9-10-11-13(6-2)12-14-15(4,7-3)16-14/h2,12,14H,5,7-11H2,1,3-4H3/b13-12+
InChIKeyVDZPUXCRKSPERH-OUKQBFOZSA-N
XLogP4.08
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane?
The IUPAC name of 2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane (CID 45095375) is 2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane.
What is the SMILES notation for 2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane?
The canonical SMILES for 2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane is C#C/C(=C\C1OC1(C)CC)CCCCCC.
What is the InChIKey of 2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane?
The InChIKey is VDZPUXCRKSPERH-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H24O/c1-5-8-9-10-11-13(6-2)12-14-15(4,7-3)16-14/h2,12,14H,5,7-11H2,1,3-4H3/b13-12+.
What are the key properties of 2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane?
2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane has a molecular weight of 220.36 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(Z)-2-ethynyloct-1-enyl]-2-methyloxirane is sourced from PubChem (CID 45095375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).