(E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite

C88H148Br2O20P2Si3 — CID 158768717

IUPAC(E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite
SMILESC#CCCCCC(=O)OC.CC(C)(C)[Si](C)(C)OC(C=O)CC#C[Si](C)(C)C.CCC/C=C/C#CCCCCC(=O)OC.CCOP.CCOP(OCC)OCC.COC(=O)CCCCC#C/C=C/C=C[C@H](C)CC#C[Si](C)(C)C.COC(=O)CCCCC#C/C=C/CBr.COC(=O)CCCCC#C/C=C/CO.O=O.OC/C=C/Br
InChIInChI=1S/C20H30O2Si.C14H28O2Si2.C13H20O2.C11H15BrO2.C11H16O3.C8H12O2.C6H15O3P.C3H5BrO.C2H7OP.O2/c1-19(16-14-18-23(3,4)5)15-12-10-8-6-7-9-11-13-17-20(21)22-2;1-14(2,3)18(7,8)16-13(12-15)10-9-11-17(4,5)6;1-3-4-5-6-7-8-9-10-11-12-13(14)15-2;2*1-14-11(13)9-7-5-3-2-4-6-8-10-12;1-3-4-5-6-7-8(9)10-2;1-4-7-10(8-5-2)9-6-3;4-2-1-3-5;1-2-3-4;1-2/h8,10,12,15,19H,9,11,13,16-17H2,1-5H3;12-13H,10H2,1-8H3;5-6H,3-4,9-12H2,1-2H3;6,8H,3,5,7,9-10H2,1H3;6,8,12H,3,5,7,9-10H2,1H3;1H,4-7H2,2H3;4-6H2,1-3H3;1-2,5H,3H2;2,4H2,1H3;/b10-8+,15-12?;;6-5+;2*8-6+;;;2-1+;;/t19-;;;;;;;;;/m0........./s1
InChIKeyIPPASVBTJXGPCN-MVZMQGHPSA-N
MW1832.15 g/mol
LogP21.06
Rot. Bonds39

About (E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite

(E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite (PubChem CID 158768717) has the molecular formula C88H148Br2O20P2Si3 and a molecular weight of 1832.15 g/mol. Its IUPAC name is (E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite.

Molecular Properties

Compound Name(E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite
PubChem CID158768717
Molecular FormulaC88H148Br2O20P2Si3
Molecular Weight1832.15 g/mol
Exact Mass1828.77
IUPAC Name(E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite
SMILESC#CCCCCC(=O)OC.CC(C)(C)[Si](C)(C)OC(C=O)CC#C[Si](C)(C)C.CCC/C=C/C#CCCCCC(=O)OC.CCOP.CCOP(OCC)OCC.COC(=O)CCCCC#C/C=C/C=C[C@H](C)CC#C[Si](C)(C)C.COC(=O)CCCCC#C/C=C/CBr.COC(=O)CCCCC#C/C=C/CO.O=O.OC/C=C/Br
InChIInChI=1S/C20H30O2Si.C14H28O2Si2.C13H20O2.C11H15BrO2.C11H16O3.C8H12O2.C6H15O3P.C3H5BrO.C2H7OP.O2/c1-19(16-14-18-23(3,4)5)15-12-10-8-6-7-9-11-13-17-20(21)22-2;1-14(2,3)18(7,8)16-13(12-15)10-9-11-17(4,5)6;1-3-4-5-6-7-8-9-10-11-12-13(14)15-2;2*1-14-11(13)9-7-5-3-2-4-6-8-10-12;1-3-4-5-6-7-8(9)10-2;1-4-7-10(8-5-2)9-6-3;4-2-1-3-5;1-2-3-4;1-2/h8,10,12,15,19H,9,11,13,16-17H2,1-5H3;12-13H,10H2,1-8H3;5-6H,3-4,9-12H2,1-2H3;6,8H,3,5,7,9-10H2,1H3;6,8,12H,3,5,7,9-10H2,1H3;1H,4-7H2,2H3;4-6H2,1-3H3;1-2,5H,3H2;2,4H2,1H3;/b10-8+,15-12?;;6-5+;2*8-6+;;;2-1+;;/t19-;;;;;;;;;/m0........./s1
InChIKeyIPPASVBTJXGPCN-MVZMQGHPSA-N
XLogP21.06
TPSA269.32 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds39
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.15
LogP ≤ 521.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite?
The IUPAC name of (E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite (CID 158768717) is (E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite.
What is the SMILES notation for (E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite?
The canonical SMILES for (E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite is C#CCCCCC(=O)OC.CC(C)(C)[Si](C)(C)OC(C=O)CC#C[Si](C)(C)C.CCC/C=C/C#CCCCCC(=O)OC.CCOP.CCOP(OCC)OCC.COC(=O)CCCCC#C/C=C/C=C[C@H](C)CC#C[Si](C)(C)C.COC(=O)CCCCC#C/C=C/CBr.COC(=O)CCCCC#C/C=C/CO.O=O.OC/C=C/Br.
What is the InChIKey of (E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite?
The InChIKey is IPPASVBTJXGPCN-MVZMQGHPSA-N. The full InChI is InChI=1S/C20H30O2Si.C14H28O2Si2.C13H20O2.C11H15BrO2.C11H16O3.C8H12O2.C6H15O3P.C3H5BrO.C2H7OP.O2/c1-19(16-14-18-23(3,4)5)15-12-10-8-6-7-9-11-13-17-20(21)22-2;1-14(2,3)18(7,8)16-13(12-15)10-9-11-17(4,5)6;1-3-4-5-6-7-8-9-10-11-12-13(14)15-2;2*1-14-11(13)9-7-5-3-2-4-6-8-10-12;1-3-4-5-6-7-8(9)10-2;1-4-7-10(8-5-2)9-6-3;4-2-1-3-5;1-2-3-4;1-2/h8,10,12,15,19H,9,11,13,16-17H2,1-5H3;12-13H,10H2,1-8H3;5-6H,3-4,9-12H2,1-2H3;6,8H,3,5,7,9-10H2,1H3;6,8,12H,3,5,7,9-10H2,1H3;1H,4-7H2,2H3;4-6H2,1-3H3;1-2,5H,3H2;2,4H2,1H3;/b10-8+,15-12?;;6-5+;2*8-6+;;;2-1+;;/t19-;;;;;;;;;/m0........./s1.
What are the key properties of (E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite?
(E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite has a molecular weight of 1832.15 g/mol, XLogP of 21.06, 39 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-bromoprop-2-en-1-ol;2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal;ethoxyphosphane;methyl (E)-10-bromodec-8-en-6-ynoate;methyl (E)-dodec-8-en-6-ynoate;methyl hept-6-ynoate;methyl (E)-10-hydroxydec-8-en-6-ynoate;methyl (8E,12R)-12-methyl-15-trimethylsilylpentadeca-8,10-dien-6,14-diynoate;molecular oxygen;triethyl phosphite is sourced from PubChem (CID 158768717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).