methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate

C24H28O3 — CID 134940795

IUPACmethyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@H]1C[C@@H](CCc2ccccc2)O[C@H]1CCc1ccccc1
InChIInChI=1S/C24H28O3/c1-18(24(25)26-2)22-17-21(15-13-19-9-5-3-6-10-19)27-23(22)16-14-20-11-7-4-8-12-20/h3-12,21-23H,1,13-17H2,2H3/t21-,22-,23+/m1/s1
InChIKeyJKNSOJRZOOPMTJ-ZLNRFVROSA-N
MW364.49 g/mol
LogP4.75
Rot. Bonds8

About methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate

methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate (PubChem CID 134940795) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate
PubChem CID134940795
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Namemethyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate
SMILESC=C(C(=O)OC)[C@H]1C[C@@H](CCc2ccccc2)O[C@H]1CCc1ccccc1
InChIInChI=1S/C24H28O3/c1-18(24(25)26-2)22-17-21(15-13-19-9-5-3-6-10-19)27-23(22)16-14-20-11-7-4-8-12-20/h3-12,21-23H,1,13-17H2,2H3/t21-,22-,23+/m1/s1
InChIKeyJKNSOJRZOOPMTJ-ZLNRFVROSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate with MolForge

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Related Compounds

methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate
CID 102186278
methyl 2-[(4R,6R)-2,2-dimethyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate
CID 10541678
4-[(2S,4R,6S)-4-acetamido-6-(2-phenylethyl)oxan-2-yl]benzoic acid
CID 50977390
1-[3-(2-phenylethyl)oxiran-2-yl]ethanone
CID 12794803
phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone
CID 11021385
[(2R,3R,4S,6R)-3-methyl-2-phenyl-6-(2-phenylethyl)oxan-4-yl] acetate
CID 101271158
N-[2-(2-phenylethyl)oxan-4-yl]acetamide
CID 102519747
1-[(2S,4R,6S)-2-tert-butyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]propan-2-one
CID 101262655
(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane
CID 131860879
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
(2R,3S,5S)-3-ethynyl-5-pentyl-2-(2-phenylethyl)oxolane
CID 142700718
amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate
CID 91512790

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate?
The IUPAC name of methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate (CID 134940795) is methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate?
The canonical SMILES for methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate is C=C(C(=O)OC)[C@H]1C[C@@H](CCc2ccccc2)O[C@H]1CCc1ccccc1.
What is the InChIKey of methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate?
The InChIKey is JKNSOJRZOOPMTJ-ZLNRFVROSA-N. The full InChI is InChI=1S/C24H28O3/c1-18(24(25)26-2)22-17-21(15-13-19-9-5-3-6-10-19)27-23(22)16-14-20-11-7-4-8-12-20/h3-12,21-23H,1,13-17H2,2H3/t21-,22-,23+/m1/s1.
What are the key properties of methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate?
methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate has a molecular weight of 364.49 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate is sourced from PubChem (CID 134940795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).