[2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane

C63H138O4Si5 — CID 90222309

IUPAC[2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane
SMILESCCCCCCCCCCCCCC[Si](C)(O[C@@](C)(CC)[Si](C)(C)C)C(CC)(CC)C(C)(CC)O[Si](C)(CCCCCCCCCCCC)C(CC)(CC)C(CC)(CC)O[Si](C)(C)C(C)(CC)O[Si](C)(C)C
InChIInChI=1S/C63H138O4Si5/c1-25-36-38-40-42-44-46-47-49-50-52-54-56-71(23,66-59(13,28-4)68(15,16)17)62(32-8,33-9)58(12,27-3)64-72(24,57-55-53-51-48-45-43-41-39-37-26-2)63(34-10,35-11)61(30-6,31-7)67-70(21,22)60(14,29-5)65-69(18,19)20/h25-57H2,1-24H3/t58?,59-,60?,71?,72?/m1/s1
InChIKeyQLGLHMHEDSJOQT-OMDLQPBYSA-N
MW1100.22 g/mol
LogP23.47
Rot. Bonds47

About [2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane

[2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane (PubChem CID 90222309) has the molecular formula C63H138O4Si5 and a molecular weight of 1100.22 g/mol. Its IUPAC name is [2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane.

Molecular Properties

Compound Name[2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane
PubChem CID90222309
Molecular FormulaC63H138O4Si5
Molecular Weight1100.22 g/mol
Exact Mass1098.94
IUPAC Name[2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane
SMILESCCCCCCCCCCCCCC[Si](C)(O[C@@](C)(CC)[Si](C)(C)C)C(CC)(CC)C(C)(CC)O[Si](C)(CCCCCCCCCCCC)C(CC)(CC)C(CC)(CC)O[Si](C)(C)C(C)(CC)O[Si](C)(C)C
InChIInChI=1S/C63H138O4Si5/c1-25-36-38-40-42-44-46-47-49-50-52-54-56-71(23,66-59(13,28-4)68(15,16)17)62(32-8,33-9)58(12,27-3)64-72(24,57-55-53-51-48-45-43-41-39-37-26-2)63(34-10,35-11)61(30-6,31-7)67-70(21,22)60(14,29-5)65-69(18,19)20/h25-57H2,1-24H3/t58?,59-,60?,71?,72?/m1/s1
InChIKeyQLGLHMHEDSJOQT-OMDLQPBYSA-N
XLogP23.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds47
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.22
LogP ≤ 523.47
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'}

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Frequently Asked Questions

What is the IUPAC name of [2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane?
The IUPAC name of [2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane (CID 90222309) is [2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane.
What is the SMILES notation for [2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane?
The canonical SMILES for [2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane is CCCCCCCCCCCCCC[Si](C)(O[C@@](C)(CC)[Si](C)(C)C)C(CC)(CC)C(C)(CC)O[Si](C)(CCCCCCCCCCCC)C(CC)(CC)C(CC)(CC)O[Si](C)(C)C(C)(CC)O[Si](C)(C)C.
What is the InChIKey of [2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane?
The InChIKey is QLGLHMHEDSJOQT-OMDLQPBYSA-N. The full InChI is InChI=1S/C63H138O4Si5/c1-25-36-38-40-42-44-46-47-49-50-52-54-56-71(23,66-59(13,28-4)68(15,16)17)62(32-8,33-9)58(12,27-3)64-72(24,57-55-53-51-48-45-43-41-39-37-26-2)63(34-10,35-11)61(30-6,31-7)67-70(21,22)60(14,29-5)65-69(18,19)20/h25-57H2,1-24H3/t58?,59-,60?,71?,72?/m1/s1.
What are the key properties of [2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane?
[2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane has a molecular weight of 1100.22 g/mol, XLogP of 23.47, 47 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-diethyl-3-[methyl-tetradecyl-[(2R)-2-trimethylsilylbutan-2-yl]oxysilyl]pentan-2-yl]oxy-[4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-diethylhexan-3-yl]-dodecyl-methylsilane is sourced from PubChem (CID 90222309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).