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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Related Compounds

2-ethyl-3-[3-ethyl-5-(4-ethylphenoxy)pent-3-enyl]-2-methyloxirane
CID 54049605
3-[(3E,7E)-9-(3-ethylphenoxy)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane
CID 5383795
phenyl (E)-6-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-4-methylhex-3-enoate
CID 44518437
6-[3-methyl-5-[3-methyl-3-(2-methylpropyl)oxiran-2-yl]pent-2-enoxy]-2,3-dihydro-1-benzofuran
CID 54207005
2,2-dimethyl-3-[(3E,7E,11E)-3,7,11-trimethyl-13-phenylmethoxytrideca-3,7,11-trienyl]oxirane
CID 11234877
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395
6-[3-ethyl-5-(3-ethyl-3-methyloxiran-2-yl)pent-2-enoxy]-2,2-dimethyl-3H-1-benzofuran
CID 88821471
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl] N-phenylcarbamate
CID 14889933
methyl (2E,6E)-9-[(2R,3R)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
CID 163026829
methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]nona-2,6-dienoate
CID 101004450
5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole
CID 70122710
2-[(E)-5-(4-ethylphenoxy)-3-methylpent-3-enyl]-2,3,3-trimethyloxirane
CID 21487647

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).