[2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane

C46H104O4Si5 — CID 90221577

IUPAC[2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane
SMILESCCCCCCCCCCCCCC[Si](C)(OC(CC)[Si](C)(C)C)C(CC)[C@@](C)(CC)O[Si](C)(C)C(CC)(CC)C(C)(CC)O[Si](C)(C)C(C)O[Si](C)(C)C
InChIInChI=1S/C46H104O4Si5/c1-22-29-30-31-32-33-34-35-36-37-38-39-40-55(21,48-43(24-3)51(11,12)13)42(23-2)44(9,25-4)49-54(19,20)46(27-6,28-7)45(10,26-5)50-53(17,18)41(8)47-52(14,15)16/h41-43H,22-40H2,1-21H3/t41?,42?,43?,44-,45?,55?/m1/s1
InChIKeyUIGQFRUTJNNESQ-COVNTVNLSA-N
MW861.76 g/mol
LogP16.84
Rot. Bonds33

About [2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane

[2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane (PubChem CID 90221577) has the molecular formula C46H104O4Si5 and a molecular weight of 861.76 g/mol. Its IUPAC name is [2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane.

Molecular Properties

Compound Name[2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane
PubChem CID90221577
Molecular FormulaC46H104O4Si5
Molecular Weight861.76 g/mol
Exact Mass860.68
IUPAC Name[2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane
SMILESCCCCCCCCCCCCCC[Si](C)(OC(CC)[Si](C)(C)C)C(CC)[C@@](C)(CC)O[Si](C)(C)C(CC)(CC)C(C)(CC)O[Si](C)(C)C(C)O[Si](C)(C)C
InChIInChI=1S/C46H104O4Si5/c1-22-29-30-31-32-33-34-35-36-37-38-39-40-55(21,48-43(24-3)51(11,12)13)42(23-2)44(9,25-4)49-54(19,20)46(27-6,28-7)45(10,26-5)50-53(17,18)41(8)47-52(14,15)16/h41-43H,22-40H2,1-21H3/t41?,42?,43?,44-,45?,55?/m1/s1
InChIKeyUIGQFRUTJNNESQ-COVNTVNLSA-N
XLogP16.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.76
LogP ≤ 516.84
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-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane?
The IUPAC name of [2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane (CID 90221577) is [2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane.
What is the SMILES notation for [2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane?
The canonical SMILES for [2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane is CCCCCCCCCCCCCC[Si](C)(OC(CC)[Si](C)(C)C)C(CC)[C@@](C)(CC)O[Si](C)(C)C(CC)(CC)C(C)(CC)O[Si](C)(C)C(C)O[Si](C)(C)C.
What is the InChIKey of [2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane?
The InChIKey is UIGQFRUTJNNESQ-COVNTVNLSA-N. The full InChI is InChI=1S/C46H104O4Si5/c1-22-29-30-31-32-33-34-35-36-37-38-39-40-55(21,48-43(24-3)51(11,12)13)42(23-2)44(9,25-4)49-54(19,20)46(27-6,28-7)45(10,26-5)50-53(17,18)41(8)47-52(14,15)16/h41-43H,22-40H2,1-21H3/t41?,42?,43?,44-,45?,55?/m1/s1.
What are the key properties of [2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane?
[2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane has a molecular weight of 861.76 g/mol, XLogP of 16.84, 33 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-diethyl-3-[[(2R)-2-ethyl-3-[methyl-tetradecyl-(1-trimethylsilylpropoxy)silyl]pentan-2-yl]oxy-dimethylsilyl]pentan-2-yl]oxy-dimethyl-(1-trimethylsilyloxyethyl)silane is sourced from PubChem (CID 90221577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).