tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate

C96H188O28Si13 — CID 15448112

IUPACtetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate
SMILESC=CCO[Si](C)(CCCO[Si](C)(CCCO[Si](OCCC[Si](C)(OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCC=C)OCC=C)(OCCC[Si](C)(OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCC=C)OCC=C)OCC=C
InChIInChI=1S/C96H188O28Si13/c1-29-57-97-125(17,98-58-30-2)85-45-73-113-133(25,114-74-46-86-126(18,99-59-31-3)100-60-32-4)93-53-81-121-137(122-82-54-94-134(26,115-75-47-87-127(19,101-61-33-5)102-62-34-6)116-76-48-88-128(20,103-63-35-7)104-64-36-8,123-83-55-95-135(27,117-77-49-89-129(21,105-65-37-9)106-66-38-10)118-78-50-90-130(22,107-67-39-11)108-68-40-12)124-84-56-96-136(28,119-79-51-91-131(23,109-69-41-13)110-70-42-14)120-80-52-92-132(24,111-71-43-15)112-72-44-16/h29-44H,1-16,45-96H2,17-28H3
InChIKeyPLTIWODQYVGKRL-UHFFFAOYSA-N
MW2155.65 g/mol
LogP22.41
Rot. Bonds108

About tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate

tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate (PubChem CID 15448112) has the molecular formula C96H188O28Si13 and a molecular weight of 2155.65 g/mol. Its IUPAC name is tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate.

Molecular Properties

Compound Nametetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate
PubChem CID15448112
Molecular FormulaC96H188O28Si13
Molecular Weight2155.65 g/mol
Exact Mass2153.03
IUPAC Nametetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate
SMILESC=CCO[Si](C)(CCCO[Si](C)(CCCO[Si](OCCC[Si](C)(OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCC=C)OCC=C)(OCCC[Si](C)(OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCC=C)OCC=C)OCC=C
InChIInChI=1S/C96H188O28Si13/c1-29-57-97-125(17,98-58-30-2)85-45-73-113-133(25,114-74-46-86-126(18,99-59-31-3)100-60-32-4)93-53-81-121-137(122-82-54-94-134(26,115-75-47-87-127(19,101-61-33-5)102-62-34-6)116-76-48-88-128(20,103-63-35-7)104-64-36-8,123-83-55-95-135(27,117-77-49-89-129(21,105-65-37-9)106-66-38-10)118-78-50-90-130(22,107-67-39-11)108-68-40-12)124-84-56-96-136(28,119-79-51-91-131(23,109-69-41-13)110-70-42-14)120-80-52-92-132(24,111-71-43-15)112-72-44-16/h29-44H,1-16,45-96H2,17-28H3
InChIKeyPLTIWODQYVGKRL-UHFFFAOYSA-N
XLogP22.41
TPSA258.44 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds108
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002155.65
LogP ≤ 522.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate?
The IUPAC name of tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate (CID 15448112) is tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate.
What is the SMILES notation for tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate?
The canonical SMILES for tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate is C=CCO[Si](C)(CCCO[Si](C)(CCCO[Si](OCCC[Si](C)(OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCC=C)OCC=C)(OCCC[Si](C)(OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCC=C)OCC=C)OCCC[Si](C)(OCC=C)OCC=C)OCC=C.
What is the InChIKey of tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate?
The InChIKey is PLTIWODQYVGKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H188O28Si13/c1-29-57-97-125(17,98-58-30-2)85-45-73-113-133(25,114-74-46-86-126(18,99-59-31-3)100-60-32-4)93-53-81-121-137(122-82-54-94-134(26,115-75-47-87-127(19,101-61-33-5)102-62-34-6)116-76-48-88-128(20,103-63-35-7)104-64-36-8,123-83-55-95-135(27,117-77-49-89-129(21,105-65-37-9)106-66-38-10)118-78-50-90-130(22,107-67-39-11)108-68-40-12)124-84-56-96-136(28,119-79-51-91-131(23,109-69-41-13)110-70-42-14)120-80-52-92-132(24,111-71-43-15)112-72-44-16/h29-44H,1-16,45-96H2,17-28H3.
What are the key properties of tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate?
tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate has a molecular weight of 2155.65 g/mol, XLogP of 22.41, 108 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[3-[methyl-bis[3-[methyl-bis(prop-2-enoxy)silyl]propoxy]silyl]propyl] silicate is sourced from PubChem (CID 15448112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).