2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate

C89H103F3O22S7 — CID 159194711

IUPAC2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate
SMILESC=C(C)C(=O)OCC(CC)OCC1CO1.C=C(C)C(=O)OCCOCC1CO1.C=C(C)C(=O)OCCOCCOCC1CO1.C=C(C)C(=O)Sc1ccc(C(C)(c2ccc(SCC3CO3)cc2)C(F)(F)F)cc1.C=CC(=O)Oc1ccc(S(=O)(=O)c2ccc(SCC3CO3)cc2)cc1.C=CC(=O)Sc1ccc(Sc2ccc(SCC3CO3)cc2)cc1
InChIInChI=1S/C22H21F3O2S2.C18H16O5S2.C18H16O2S3.C11H18O5.C11H18O4.C9H14O4/c1-14(2)20(26)29-19-10-6-16(7-11-19)21(3,22(23,24)25)15-4-8-18(9-5-15)28-13-17-12-27-17;1-2-18(19)23-13-3-7-16(8-4-13)25(20,21)17-9-5-15(6-10-17)24-12-14-11-22-14;1-2-18(19)23-17-9-7-16(8-10-17)22-15-5-3-14(4-6-15)21-12-13-11-20-13;1-9(2)11(12)15-6-5-13-3-4-14-7-10-8-16-10;1-4-9(13-6-10-7-14-10)5-15-11(12)8(2)3;1-7(2)9(10)12-4-3-11-5-8-6-13-8/h4-11,17H,1,12-13H2,2-3H3;2-10,14H,1,11-12H2;2-10,13H,1,11-12H2;10H,1,3-8H2,2H3;9-10H,2,4-7H2,1,3H3;8H,1,3-6H2,2H3
InChIKeyKONCIUFVPQNPPD-UHFFFAOYSA-N
MW1806.24 g/mol
LogP16.83
Rot. Bonds43

About 2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate

2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate (PubChem CID 159194711) has the molecular formula C89H103F3O22S7 and a molecular weight of 1806.24 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate
PubChem CID159194711
Molecular FormulaC89H103F3O22S7
Molecular Weight1806.24 g/mol
Exact Mass1804.49
IUPAC Name2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate
SMILESC=C(C)C(=O)OCC(CC)OCC1CO1.C=C(C)C(=O)OCCOCC1CO1.C=C(C)C(=O)OCCOCCOCC1CO1.C=C(C)C(=O)Sc1ccc(C(C)(c2ccc(SCC3CO3)cc2)C(F)(F)F)cc1.C=CC(=O)Oc1ccc(S(=O)(=O)c2ccc(SCC3CO3)cc2)cc1.C=CC(=O)Sc1ccc(Sc2ccc(SCC3CO3)cc2)cc1
InChIInChI=1S/C22H21F3O2S2.C18H16O5S2.C18H16O2S3.C11H18O5.C11H18O4.C9H14O4/c1-14(2)20(26)29-19-10-6-16(7-11-19)21(3,22(23,24)25)15-4-8-18(9-5-15)28-13-17-12-27-17;1-2-18(19)23-13-3-7-16(8-4-13)25(20,21)17-9-5-15(6-10-17)24-12-14-11-22-14;1-2-18(19)23-17-9-7-16(8-10-17)22-15-5-3-14(4-6-15)21-12-13-11-20-13;1-9(2)11(12)15-6-5-13-3-4-14-7-10-8-16-10;1-4-9(13-6-10-7-14-10)5-15-11(12)8(2)3;1-7(2)9(10)12-4-3-11-5-8-6-13-8/h4-11,17H,1,12-13H2,2-3H3;2-10,14H,1,11-12H2;2-10,13H,1,11-12H2;10H,1,3-8H2,2H3;9-10H,2,4-7H2,1,3H3;8H,1,3-6H2,2H3
InChIKeyKONCIUFVPQNPPD-UHFFFAOYSA-N
XLogP16.83
TPSA285.58 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds43
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001806.24
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate with MolForge

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Related Compounds

Tetrakis(2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate);4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;4-[4-(2-methoxyethoxy)phenyl]-1,4-oxathian-4-ium;4-(4-methoxyphenyl)-1,4-oxathian-4-ium;4-(4-methylphenyl)-1,4-oxathian-4-ium
CID 157117504
Bis(4-tert-butylphenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 157167081
Bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethanesulfonate;tris(1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate);bis(1,1-difluoro-2-prop-2-enoyloxyethanesulfonate);bis(dimethyl(phenyl)sulfanium);bis([4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium);triphenylsulfanium
CID 157187510
(4-Tert-butylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(1,1,3,3,3-pentafluoro-2-(2-methylprop-2-enoyloxy)propane-1-sulfonate);1,1,3,3,3-pentafluoro-2-prop-2-enoyloxypropane-1-sulfonate;bis(triphenylsulfanium)
CID 157221975
2-[4-Bis(4-butoxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(3,3,5-trimethylcyclohexyl)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[phenyl-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonio]phenoxy]propane-1-sulfonate
CID 157315723
2-(Adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;bis([4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]-diphenylsulfanium);[4-(2-methylprop-2-enoyloxy)phenyl]-diphenylsulfanium;methylsulfonyl(trifluoromethylsulfonyl)azanide;1,1,3,3-tetrafluorobutane-1-sulfonate
CID 157368554
Bis(1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate);bis(1,1-difluoro-2-prop-2-enoyloxyethanesulfonate);bis((4-methylphenyl)-diphenylsulfanium);bis([4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium)
CID 157472956
Bis((4-tert-butylphenyl)-diphenylsulfanium);bis(1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate);bis(1,1-difluoro-2-prop-2-enoyloxyethanesulfonate);dimethyl(phenyl)sulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 157663926
Bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethanesulfonate;tris(1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate);bis(1,1-difluoro-2-prop-2-enoyloxyethanesulfonate);bis(dimethyl(phenyl)sulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium
CID 157682996
[2-[4-[4-(2-Acetyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]sulfonylsulfonylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] acetate;(4-acetyloxyphenyl)-diphenylsulfanium;bis(4-acetyloxyphenyl)-phenylsulfanium;tris(4-acetyloxyphenyl)sulfanium
CID 157779077
[4-(Benzenesulfonyl)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethylsulfonyloxy)phenyl]sulfanium;[4-(4-methylphenyl)sulfonyloxyphenyl]-diphenylsulfanium;tetrakis(3-(2-methylprop-2-enoyloxy)propane-1-sulfonate);(4-methylsulfonyloxyphenyl)-diphenylsulfanium
CID 157879749
(4-Tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate);bis(1,1-difluoro-2-prop-2-enoyloxyethanesulfonate);(4-methylphenyl)-diphenylsulfanium;bis([4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium)
CID 157898228

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate?
The IUPAC name of 2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate (CID 159194711) is 2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate is C=C(C)C(=O)OCC(CC)OCC1CO1.C=C(C)C(=O)OCCOCC1CO1.C=C(C)C(=O)OCCOCCOCC1CO1.C=C(C)C(=O)Sc1ccc(C(C)(c2ccc(SCC3CO3)cc2)C(F)(F)F)cc1.C=CC(=O)Oc1ccc(S(=O)(=O)c2ccc(SCC3CO3)cc2)cc1.C=CC(=O)Sc1ccc(Sc2ccc(SCC3CO3)cc2)cc1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate?
The InChIKey is KONCIUFVPQNPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3O2S2.C18H16O5S2.C18H16O2S3.C11H18O5.C11H18O4.C9H14O4/c1-14(2)20(26)29-19-10-6-16(7-11-19)21(3,22(23,24)25)15-4-8-18(9-5-15)28-13-17-12-27-17;1-2-18(19)23-13-3-7-16(8-4-13)25(20,21)17-9-5-15(6-10-17)24-12-14-11-22-14;1-2-18(19)23-17-9-7-16(8-10-17)22-15-5-3-14(4-6-15)21-12-13-11-20-13;1-9(2)11(12)15-6-5-13-3-4-14-7-10-8-16-10;1-4-9(13-6-10-7-14-10)5-15-11(12)8(2)3;1-7(2)9(10)12-4-3-11-5-8-6-13-8/h4-11,17H,1,12-13H2,2-3H3;2-10,14H,1,11-12H2;2-10,13H,1,11-12H2;10H,1,3-8H2,2H3;9-10H,2,4-7H2,1,3H3;8H,1,3-6H2,2H3.
What are the key properties of 2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate?
2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate has a molecular weight of 1806.24 g/mol, XLogP of 16.83, 43 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;2-[2-(oxiran-2-ylmethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxy)ethyl 2-methylprop-2-enoate;S-[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfanylphenyl] prop-2-enethioate;[4-[4-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl] prop-2-enoate;S-[4-[1,1,1-trifluoro-2-[4-(oxiran-2-ylmethylsulfanyl)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enethioate is sourced from PubChem (CID 159194711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).