[(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane

C60H80O2Si4 — CID 102351538

IUPAC[(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane
SMILESCCCCCC[C@@H]([C@H]1[C@H](C)O[Si](c2ccccc2)(c2ccccc2)[C@H]([C@H](CCCCCC)[Si](C)(C)c2ccccc2)[C@@H](C)O[Si]1(c1ccccc1)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C60H80O2Si4/c1-9-11-13-33-47-57(63(5,6)51-35-21-15-22-36-51)59-49(3)61-66(55-43-29-19-30-44-55,56-45-31-20-32-46-56)60(58(48-34-14-12-10-2)64(7,8)52-37-23-16-24-38-52)50(4)62-65(59,53-39-25-17-26-40-53)54-41-27-18-28-42-54/h15-32,35-46,49-50,57-60H,9-14,33-34,47-48H2,1-8H3/t49-,50+,57-,58-,59+,60-/m0/s1
InChIKeyVRRHLGXNOPVMJY-JHYIXQCRSA-N
MW945.64 g/mol
LogP12.98
Rot. Bonds20

About [(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane

[(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane (PubChem CID 102351538) has the molecular formula C60H80O2Si4 and a molecular weight of 945.64 g/mol. Its IUPAC name is [(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane
PubChem CID102351538
Molecular FormulaC60H80O2Si4
Molecular Weight945.64 g/mol
Exact Mass944.52
IUPAC Name[(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane
SMILESCCCCCC[C@@H]([C@H]1[C@H](C)O[Si](c2ccccc2)(c2ccccc2)[C@H]([C@H](CCCCCC)[Si](C)(C)c2ccccc2)[C@@H](C)O[Si]1(c1ccccc1)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C60H80O2Si4/c1-9-11-13-33-47-57(63(5,6)51-35-21-15-22-36-51)59-49(3)61-66(55-43-29-19-30-44-55,56-45-31-20-32-46-56)60(58(48-34-14-12-10-2)64(7,8)52-37-23-16-24-38-52)50(4)62-65(59,53-39-25-17-26-40-53)54-41-27-18-28-42-54/h15-32,35-46,49-50,57-60H,9-14,33-34,47-48H2,1-8H3/t49-,50+,57-,58-,59+,60-/m0/s1
InChIKeyVRRHLGXNOPVMJY-JHYIXQCRSA-N
XLogP12.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.64
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane with MolForge

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Related Compounds

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icosan-10-ylbenzene
CID 54351357

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane?
The IUPAC name of [(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane (CID 102351538) is [(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane.
What is the SMILES notation for [(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane?
The canonical SMILES for [(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane is CCCCCC[C@@H]([C@H]1[C@H](C)O[Si](c2ccccc2)(c2ccccc2)[C@H]([C@H](CCCCCC)[Si](C)(C)c2ccccc2)[C@@H](C)O[Si]1(c1ccccc1)c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane?
The InChIKey is VRRHLGXNOPVMJY-JHYIXQCRSA-N. The full InChI is InChI=1S/C60H80O2Si4/c1-9-11-13-33-47-57(63(5,6)51-35-21-15-22-36-51)59-49(3)61-66(55-43-29-19-30-44-55,56-45-31-20-32-46-56)60(58(48-34-14-12-10-2)64(7,8)52-37-23-16-24-38-52)50(4)62-65(59,53-39-25-17-26-40-53)54-41-27-18-28-42-54/h15-32,35-46,49-50,57-60H,9-14,33-34,47-48H2,1-8H3/t49-,50+,57-,58-,59+,60-/m0/s1.
What are the key properties of [(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane?
[(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane has a molecular weight of 945.64 g/mol, XLogP of 12.98, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(3S,4R,7R,8S)-7-[(1S)-1-[dimethyl(phenyl)silyl]heptyl]-4,8-dimethyl-2,2,6,6-tetraphenyl-1,5,2,6-dioxadisilocan-3-yl]heptyl]-dimethyl-phenylsilane is sourced from PubChem (CID 102351538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).