2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane

C17H24O2 — CID 163620359

IUPAC2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane
SMILESCCC1(C)OC1CCC(C)=CCOc1ccccc1
InChIInChI=1S/C17H24O2/c1-4-17(3)16(19-17)11-10-14(2)12-13-18-15-8-6-5-7-9-15/h5-9,12,16H,4,10-11,13H2,1-3H3
InChIKeyHNOQHFKAINDLHB-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.36
Rot. Bonds7

About 2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane

2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane (PubChem CID 163620359) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane
PubChem CID163620359
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane
SMILESCCC1(C)OC1CCC(C)=CCOc1ccccc1
InChIInChI=1S/C17H24O2/c1-4-17(3)16(19-17)11-10-14(2)12-13-18-15-8-6-5-7-9-15/h5-9,12,16H,4,10-11,13H2,1-3H3
InChIKeyHNOQHFKAINDLHB-UHFFFAOYSA-N
XLogP4.36
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane?
The IUPAC name of 2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane (CID 163620359) is 2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane.
What is the SMILES notation for 2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane?
The canonical SMILES for 2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane is CCC1(C)OC1CCC(C)=CCOc1ccccc1.
What is the InChIKey of 2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane?
The InChIKey is HNOQHFKAINDLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-17(3)16(19-17)11-10-14(2)12-13-18-15-8-6-5-7-9-15/h5-9,12,16H,4,10-11,13H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane?
2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane has a molecular weight of 260.38 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane is sourced from PubChem (CID 163620359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).