tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane

C40H68O3Si — CID 134846014

IUPACtert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
SMILESCOCOC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C40H68O3Si/c1-31(22-32(2)24-34(4)26-36(6)28-42-30-41-11)23-33(3)25-35(5)27-37(7)29-43-44(40(8,9)10,38-18-14-12-15-19-38)39-20-16-13-17-21-39/h12-21,31-37H,22-30H2,1-11H3/t31-,32-,33+,34-,35+,36-,37+/m0/s1
InChIKeyQXXLGSKKNWBWSE-KRECSZAMSA-N
MW625.07 g/mol
LogP9.98
Rot. Bonds21

About tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane

tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane (PubChem CID 134846014) has the molecular formula C40H68O3Si and a molecular weight of 625.07 g/mol. Its IUPAC name is tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
PubChem CID134846014
Molecular FormulaC40H68O3Si
Molecular Weight625.07 g/mol
Exact Mass624.49
IUPAC Nametert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
SMILESCOCOC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C40H68O3Si/c1-31(22-32(2)24-34(4)26-36(6)28-42-30-41-11)23-33(3)25-35(5)27-37(7)29-43-44(40(8,9)10,38-18-14-12-15-19-38)39-20-16-13-17-21-39/h12-21,31-37H,22-30H2,1-11H3/t31-,32-,33+,34-,35+,36-,37+/m0/s1
InChIKeyQXXLGSKKNWBWSE-KRECSZAMSA-N
XLogP9.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.07
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane with MolForge

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Related Compounds

(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol
CID 71504117
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
(2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)-3,7-dimethyl-2-phenylmethoxyoctan-3-ol
CID 11353695
(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol
CID 71514828
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
CID 11574459

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane (CID 134846014) is tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane is COCOC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane?
The InChIKey is QXXLGSKKNWBWSE-KRECSZAMSA-N. The full InChI is InChI=1S/C40H68O3Si/c1-31(22-32(2)24-34(4)26-36(6)28-42-30-41-11)23-33(3)25-35(5)27-37(7)29-43-44(40(8,9)10,38-18-14-12-15-19-38)39-20-16-13-17-21-39/h12-21,31-37H,22-30H2,1-11H3/t31-,32-,33+,34-,35+,36-,37+/m0/s1.
What are the key properties of tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane?
tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane has a molecular weight of 625.07 g/mol, XLogP of 9.98, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane is sourced from PubChem (CID 134846014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).