tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane

C44H70O4Si2 — CID 101416747

IUPACtert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
SMILESCOc1ccc(CO[C@@H](CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C44H70O4Si2/c1-43(2,3)49(8,9)47-35-25-17-15-13-11-10-12-14-16-20-26-40(46-36-38-31-33-39(45-7)34-32-38)37-48-50(44(4,5)6,41-27-21-18-22-28-41)42-29-23-19-24-30-42/h18-19,21-24,27-34,40H,10-17,20,25-26,35-37H2,1-9H3/t40-/m0/s1
InChIKeyBAFNWGPLRHPJPA-FAIXQHPJSA-N
MW719.21 g/mol
LogP11.47
Rot. Bonds23

About tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane

tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane (PubChem CID 101416747) has the molecular formula C44H70O4Si2 and a molecular weight of 719.21 g/mol. Its IUPAC name is tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
PubChem CID101416747
Molecular FormulaC44H70O4Si2
Molecular Weight719.21 g/mol
Exact Mass718.48
IUPAC Nametert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
SMILESCOc1ccc(CO[C@@H](CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C44H70O4Si2/c1-43(2,3)49(8,9)47-35-25-17-15-13-11-10-12-14-16-20-26-40(46-36-38-31-33-39(45-7)34-32-38)37-48-50(44(4,5)6,41-27-21-18-22-28-41)42-29-23-19-24-30-42/h18-19,21-24,27-34,40H,10-17,20,25-26,35-37H2,1-9H3/t40-/m0/s1
InChIKeyBAFNWGPLRHPJPA-FAIXQHPJSA-N
XLogP11.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.21
LogP ≤ 511.47
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'}

Analyze tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one
CID 11262939
5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]pentanal
CID 75162787
4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 72970803
tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane
CID 10030673
tert-butyl-[6-[(4-methoxyphenyl)methoxy]-2-trityloxyhexoxy]-dimethylsilane
CID 15417385
(3S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyhexan-2-one
CID 11753665
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895
(3R,4R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanal
CID 23636317
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
S-ethyl (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-4-methyl-6-triethylsilyloxyheptanethioate
CID 42631664
tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane
CID 10412453

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane (CID 101416747) is tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane is COc1ccc(CO[C@@H](CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane?
The InChIKey is BAFNWGPLRHPJPA-FAIXQHPJSA-N. The full InChI is InChI=1S/C44H70O4Si2/c1-43(2,3)49(8,9)47-35-25-17-15-13-11-10-12-14-16-20-26-40(46-36-38-31-33-39(45-7)34-32-38)37-48-50(44(4,5)6,41-27-21-18-22-28-41)42-29-23-19-24-30-42/h18-19,21-24,27-34,40H,10-17,20,25-26,35-37H2,1-9H3/t40-/m0/s1.
What are the key properties of tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane?
tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane has a molecular weight of 719.21 g/mol, XLogP of 11.47, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane is sourced from PubChem (CID 101416747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).