tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane

C35H76O3Si2Sn — CID 10747441

IUPACtert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)[C@H](/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C23H49O3Si2.3C4H9.Sn/c1-23(2,3)28(7,8)26-19-17-15-13-11-9-10-12-14-16-18-24-22-25-20-21-27(4,5)6;3*1-3-4-2;/h14,16,18H,9-13,15,17,19-22H2,1-8H3;3*1,3-4H2,2H3;/b16-14+;;;;
InChIKeyVOYHIFPDHMOKPK-YQYAMKSKSA-N
MW719.87 g/mol
LogP12.38
Rot. Bonds27

About tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane

tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane (PubChem CID 10747441) has the molecular formula C35H76O3Si2Sn and a molecular weight of 719.87 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane
PubChem CID10747441
Molecular FormulaC35H76O3Si2Sn
Molecular Weight719.87 g/mol
Exact Mass720.44
IUPAC Nametert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)[C@H](/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C23H49O3Si2.3C4H9.Sn/c1-23(2,3)28(7,8)26-19-17-15-13-11-9-10-12-14-16-18-24-22-25-20-21-27(4,5)6;3*1-3-4-2;/h14,16,18H,9-13,15,17,19-22H2,1-8H3;3*1,3-4H2,2H3;/b16-14+;;;;
InChIKeyVOYHIFPDHMOKPK-YQYAMKSKSA-N
XLogP12.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.87
LogP ≤ 512.38
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane (CID 10747441) is tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane is CCCC[Sn](CCCC)(CCCC)[C@H](/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane?
The InChIKey is VOYHIFPDHMOKPK-YQYAMKSKSA-N. The full InChI is InChI=1S/C23H49O3Si2.3C4H9.Sn/c1-23(2,3)28(7,8)26-19-17-15-13-11-9-10-12-14-16-18-24-22-25-20-21-27(4,5)6;3*1-3-4-2;/h14,16,18H,9-13,15,17,19-22H2,1-8H3;3*1,3-4H2,2H3;/b16-14+;;;;.
What are the key properties of tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane?
tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane has a molecular weight of 719.87 g/mol, XLogP of 12.38, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane is sourced from PubChem (CID 10747441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).