trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane

C46H100O4Si4 — CID 20725084

IUPACtrimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane
SMILESCCCCCCCCCCCCC(CO[Si](C)(C)C)C(CCCCCCCCCCC(C(CCCOCC1CO1)CO[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C46H100O4Si4/c1-14-15-16-17-18-19-20-23-26-29-33-42(38-49-53(8,9)10)45(51(2,3)4)35-30-27-24-21-22-25-28-31-36-46(52(5,6)7)43(39-50-54(11,12)13)34-32-37-47-40-44-41-48-44/h42-46H,14-41H2,1-13H3
InChIKeyPMEPENNULSMNOA-UHFFFAOYSA-N
MW829.65 g/mol
LogP15.75
Rot. Bonds38

About trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane

trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane (PubChem CID 20725084) has the molecular formula C46H100O4Si4 and a molecular weight of 829.65 g/mol. Its IUPAC name is trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane.

Molecular Properties

Compound Nametrimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane
PubChem CID20725084
Molecular FormulaC46H100O4Si4
Molecular Weight829.65 g/mol
Exact Mass828.67
IUPAC Nametrimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane
SMILESCCCCCCCCCCCCC(CO[Si](C)(C)C)C(CCCCCCCCCCC(C(CCCOCC1CO1)CO[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C46H100O4Si4/c1-14-15-16-17-18-19-20-23-26-29-33-42(38-49-53(8,9)10)45(51(2,3)4)35-30-27-24-21-22-25-28-31-36-46(52(5,6)7)43(39-50-54(11,12)13)34-32-37-47-40-44-41-48-44/h42-46H,14-41H2,1-13H3
InChIKeyPMEPENNULSMNOA-UHFFFAOYSA-N
XLogP15.75
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds38
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.65
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane?
The IUPAC name of trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane (CID 20725084) is trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane.
What is the SMILES notation for trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane?
The canonical SMILES for trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane is CCCCCCCCCCCCC(CO[Si](C)(C)C)C(CCCCCCCCCCC(C(CCCOCC1CO1)CO[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane?
The InChIKey is PMEPENNULSMNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H100O4Si4/c1-14-15-16-17-18-19-20-23-26-29-33-42(38-49-53(8,9)10)45(51(2,3)4)35-30-27-24-21-22-25-28-31-36-46(52(5,6)7)43(39-50-54(11,12)13)34-32-37-47-40-44-41-48-44/h42-46H,14-41H2,1-13H3.
What are the key properties of trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane?
trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane has a molecular weight of 829.65 g/mol, XLogP of 15.75, 38 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[3-(oxiran-2-ylmethoxy)propyl]-3,14-bis(trimethylsilyl)-15-(trimethylsilyloxymethyl)heptacosoxy]silane is sourced from PubChem (CID 20725084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).