ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid

C31H75NO10SSi8 — CID 175745297

IUPACethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid
SMILESC=COC(=O)SCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)O[Si](CCCC=CCNC(=O)O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H39NO5Si4.C15H36O5SSi4/c1-23(2,3)20-26(21-24(4,5)6,22-25(7,8)9)15-13-11-10-12-14-17-16(18)19;1-11-17-15(16)21-13-12-14-25(18-22(2,3)4,19-23(5,6)7)20-24(8,9)10/h10,12,17H,11,13-15H2,1-9H3,(H,18,19);11H,1,12-14H2,2-10H3
InChIKeyOPRZYYUOYDSFTK-UHFFFAOYSA-N
MW878.69 g/mol
LogP10.97
Rot. Bonds23

About ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid

ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid (PubChem CID 175745297) has the molecular formula C31H75NO10SSi8 and a molecular weight of 878.69 g/mol. Its IUPAC name is ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid.

Molecular Properties

Compound Nameethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid
PubChem CID175745297
Molecular FormulaC31H75NO10SSi8
Molecular Weight878.69 g/mol
Exact Mass877.33
IUPAC Nameethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid
SMILESC=COC(=O)SCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)O[Si](CCCC=CCNC(=O)O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H39NO5Si4.C15H36O5SSi4/c1-23(2,3)20-26(21-24(4,5)6,22-25(7,8)9)15-13-11-10-12-14-17-16(18)19;1-11-17-15(16)21-13-12-14-25(18-22(2,3)4,19-23(5,6)7)20-24(8,9)10/h10,12,17H,11,13-15H2,1-9H3,(H,18,19);11H,1,12-14H2,2-10H3
InChIKeyOPRZYYUOYDSFTK-UHFFFAOYSA-N
XLogP10.97
TPSA131.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.69
LogP ≤ 510.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid?
The IUPAC name of ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid (CID 175745297) is ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid.
What is the SMILES notation for ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid?
The canonical SMILES for ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid is C=COC(=O)SCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)O[Si](CCCC=CCNC(=O)O)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid?
The InChIKey is OPRZYYUOYDSFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H39NO5Si4.C15H36O5SSi4/c1-23(2,3)20-26(21-24(4,5)6,22-25(7,8)9)15-13-11-10-12-14-17-16(18)19;1-11-17-15(16)21-13-12-14-25(18-22(2,3)4,19-23(5,6)7)20-24(8,9)10/h10,12,17H,11,13-15H2,1-9H3,(H,18,19);11H,1,12-14H2,2-10H3.
What are the key properties of ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid?
ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid has a molecular weight of 878.69 g/mol, XLogP of 10.97, 23 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-tris(trimethylsilyloxy)silylpropylsulfanylformate;6-tris(trimethylsilyloxy)silylhex-2-enylcarbamic acid is sourced from PubChem (CID 175745297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).