(2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane

C17H24O4 — CID 11266323

IUPAC(2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane
SMILESCOCO[C@H](CC/C=C/COCc1ccccc1)[C@@H]1CO1
InChIInChI=1S/C17H24O4/c1-18-14-21-16(17-13-20-17)10-6-3-7-11-19-12-15-8-4-2-5-9-15/h2-5,7-9,16-17H,6,10-14H2,1H3/b7-3+/t16-,17+/m1/s1
InChIKeyUWBBWTMVZMZUEJ-QITRJSSMSA-N
MW292.37 g/mol
LogP2.93
Rot. Bonds11

About (2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane

(2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane (PubChem CID 11266323) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is (2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane
PubChem CID11266323
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name(2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane
SMILESCOCO[C@H](CC/C=C/COCc1ccccc1)[C@@H]1CO1
InChIInChI=1S/C17H24O4/c1-18-14-21-16(17-13-20-17)10-6-3-7-11-19-12-15-8-4-2-5-9-15/h2-5,7-9,16-17H,6,10-14H2,1H3/b7-3+/t16-,17+/m1/s1
InChIKeyUWBBWTMVZMZUEJ-QITRJSSMSA-N
XLogP2.93
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(E,2R,3R)-3-(methoxymethoxy)-8-phenylmethoxyoct-6-en-2-amine
CID 11266359
[(E,2R,3S)-2-(methoxymethoxy)-3,6-bis(phenylmethoxy)hex-4-enoxy]methylbenzene
CID 135036465
(2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane
CID 24900146
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
2-(2-bromo-1-phenylmethoxyethyl)oxirane
CID 562170
(2R)-2-[(E,1R)-1-(phenylmethoxymethoxy)hexadec-2-enyl]oxirane
CID 11269662
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
2-[(1R)-1-phenylmethoxyethyl]oxirane
CID 88860566
(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane
CID 11313389
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylmethoxyethoxy]silane
CID 11162635

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane?
The IUPAC name of (2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane (CID 11266323) is (2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane.
What is the SMILES notation for (2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane?
The canonical SMILES for (2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane is COCO[C@H](CC/C=C/COCc1ccccc1)[C@@H]1CO1.
What is the InChIKey of (2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane?
The InChIKey is UWBBWTMVZMZUEJ-QITRJSSMSA-N. The full InChI is InChI=1S/C17H24O4/c1-18-14-21-16(17-13-20-17)10-6-3-7-11-19-12-15-8-4-2-5-9-15/h2-5,7-9,16-17H,6,10-14H2,1H3/b7-3+/t16-,17+/m1/s1.
What are the key properties of (2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane?
(2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane has a molecular weight of 292.37 g/mol, XLogP of 2.93, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane is sourced from PubChem (CID 11266323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).