but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene

C154H198F15O21PS2Si3 — CID 165069369

About but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene

but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene (PubChem CID 165069369) has the molecular formula C154H198F15O21PS2Si3 and a molecular weight of 2849.59 g/mol. Its IUPAC name is but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene.

Molecular Properties

• Compound Name: but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene
• PubChem CID: 165069369
• Molecular Formula: C154H198F15O21PS2Si3
• Molecular Weight: 2849.59 g/mol
• Exact Mass: 2847.27
• IUPAC Name: but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene
• SMILES: C.C.C.C.CC#CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CCC.COC.COc1ccc(C(=O)c2ccc(O)cc2)cc1.COc1ccc(C(C)(c2ccc(O)cc2)C(F)(F)F)cc1.COc1ccc(OC)cc1.COc1ccc(Oc2ccc(OC)cc2)cc1.COc1ccc(P(=O)(c2ccccc2)c2ccc(O)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.COc1ccc(Sc2ccc(OC)cc2)cc1.C[Si](C)(C(F)(F)F)C(F)(F)F.C[Si](C)(C)C.C[Si](C)(c1ccccc1)c1ccccc1.Cc1ccc(C)cc1
• InChI: InChI=1S/C19H17O3P.C16H15F3O2.C14H14O3.C14H12O3.C14H14O2S.C14H16Si.C13H12O4S.C8H10O2.C8H10.C5H6F6.C5H12.C4H6F6Si.C4H12Si.C4H6.C3H6O.C3H8.C2H6O.4CH4/c1-22-16-9-13-19(14-10-16)23(21,17-5-3-2-4-6-17)18-11-7-15(20)8-12-18;1-15(16(17,18)19,11-3-7-13(20)8-4-11)12-5-9-14(21-2)10-6-12;1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10;1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-17-11-4-8-13(9-5-11)18(15,16)12-6-2-10(14)3-7-12;1-9-7-3-5-8(10-2)6-4-7;1-7-3-5-8(2)6-4-7;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-11(2,3(5,6)7)4(8,9)10;1-5(2,3)4;1-3-4-2;1-3(2)4;2*1-3-2;;;;/h2-14,20H,1H3;3-10,20H,1-2H3;3-10H,1-2H3;2-9,15H,1H3;3-10H,1-2H3;3-12H,1-2H3;2-9,14H,1H3;3-6H,1-2H3;3-6H,1-2H3;1-2H3;1-4H3;1-2H3;1-4H3;2*1-2H3;3H2,1-2H3;1-2H3;4*1H4
• InChIKey: SMQVQQSICIPPAR-UHFFFAOYSA-N
• XLogP: 41.93
• TPSA: 277.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2849.59
LogP ≤ 5	41.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene?

The IUPAC name of but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene (CID 165069369) is but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene.

What is the SMILES notation for but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene?

The canonical SMILES for but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene is C.C.C.C.CC#CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CCC.COC.COc1ccc(C(=O)c2ccc(O)cc2)cc1.COc1ccc(C(C)(c2ccc(O)cc2)C(F)(F)F)cc1.COc1ccc(OC)cc1.COc1ccc(Oc2ccc(OC)cc2)cc1.COc1ccc(P(=O)(c2ccccc2)c2ccc(O)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.COc1ccc(Sc2ccc(OC)cc2)cc1.C[Si](C)(C(F)(F)F)C(F)(F)F.C[Si](C)(C)C.C[Si](C)(c1ccccc1)c1ccccc1.Cc1ccc(C)cc1.

What is the InChIKey of but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene?

The InChIKey is SMQVQQSICIPPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17O3P.C16H15F3O2.C14H14O3.C14H12O3.C14H14O2S.C14H16Si.C13H12O4S.C8H10O2.C8H10.C5H6F6.C5H12.C4H6F6Si.C4H12Si.C4H6.C3H6O.C3H8.C2H6O.4CH4/c1-22-16-9-13-19(14-10-16)23(21,17-5-3-2-4-6-17)18-11-7-15(20)8-12-18;1-15(16(17,18)19,11-3-7-13(20)8-4-11)12-5-9-14(21-2)10-6-12;1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10;1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-17-11-4-8-13(9-5-11)18(15,16)12-6-2-10(14)3-7-12;1-9-7-3-5-8(10-2)6-4-7;1-7-3-5-8(2)6-4-7;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-11(2,3(5,6)7)4(8,9)10;1-5(2,3)4;1-3-4-2;1-3(2)4;2*1-3-2;;;;/h2-14,20H,1H3;3-10,20H,1-2H3;3-10H,1-2H3;2-9,15H,1H3;3-10H,1-2H3;3-12H,1-2H3;2-9,14H,1H3;3-6H,1-2H3;3-6H,1-2H3;1-2H3;1-4H3;1-2H3;1-4H3;2*1-2H3;3H2,1-2H3;1-2H3;4*1H4.

What are the key properties of but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene?

but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene has a molecular weight of 2849.59 g/mol, XLogP of 41.93, 25 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for but-2-yne;1,4-dimethoxybenzene;dimethyl-bis(trifluoromethyl)silane;dimethyl(diphenyl)silane;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(4-hydroxyphenyl)-(4-methoxyphenyl)methanone;methane;methoxymethane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;4-[(4-methoxyphenyl)-phenylphosphoryl]phenol;4-(4-methoxyphenyl)sulfonylphenol;propane;propan-2-one;tetramethylsilane;4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenol;1,4-xylene is sourced from PubChem (CID 165069369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).