tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane

C30H66O3Si2Sn — CID 10532271

IUPACtert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)[C@H](/C=C/CCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C18H39O3Si2.3C4H9.Sn/c1-18(2,3)23(7,8)21-14-12-10-9-11-13-19-17-20-15-16-22(4,5)6;3*1-3-4-2;/h9,11,13H,10,12,14-17H2,1-8H3;3*1,3-4H2,2H3;/b11-9+;;;;
InChIKeyDJXZULOFNRXMKT-ARLMWRGNSA-N
MW649.74 g/mol
LogP10.43
Rot. Bonds22

About tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane

tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane (PubChem CID 10532271) has the molecular formula C30H66O3Si2Sn and a molecular weight of 649.74 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane
PubChem CID10532271
Molecular FormulaC30H66O3Si2Sn
Molecular Weight649.74 g/mol
Exact Mass650.36
IUPAC Nametert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)[C@H](/C=C/CCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C18H39O3Si2.3C4H9.Sn/c1-18(2,3)23(7,8)21-14-12-10-9-11-13-19-17-20-15-16-22(4,5)6;3*1-3-4-2;/h9,11,13H,10,12,14-17H2,1-8H3;3*1,3-4H2,2H3;/b11-9+;;;;
InChIKeyDJXZULOFNRXMKT-ARLMWRGNSA-N
XLogP10.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.74
LogP ≤ 510.43
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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Related Compounds

tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane
CID 10626162
[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl] methyl carbonate
CID 24754552
tert-butyl-[(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-yl]oxy-dimethylsilane
CID 135019503
tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane
CID 10508301
triethyl-[(4E)-6-(methoxymethoxy)-4-methyl-7-(trimethylsilylmethyl)octa-4,7-dienoxy]silane
CID 101521916
tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
CID 10791321
tert-butyl-[(E,2R,5R)-5-(methoxymethoxy)oct-6-en-2-yl]oxy-dimethylsilane
CID 149344152
tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane
CID 10347502
tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane
CID 10574692
trimethyl-[2-[[(E,1S)-1-tributylstannylpent-2-enoxy]methoxy]ethyl]silane
CID 10577478
trimethyl-[2-[[(E,2S)-5-tributylstannylpent-3-en-2-yl]oxymethoxy]ethyl]silane
CID 10720321
tert-butyl-dimethyl-[(E,11R)-11-tributylstannyl-11-(2-trimethylsilylethoxymethoxy)undec-9-enoxy]silane
CID 10747441

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane (CID 10532271) is tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane is CCCC[Sn](CCCC)(CCCC)[C@H](/C=C/CCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane?
The InChIKey is DJXZULOFNRXMKT-ARLMWRGNSA-N. The full InChI is InChI=1S/C18H39O3Si2.3C4H9.Sn/c1-18(2,3)23(7,8)21-14-12-10-9-11-13-19-17-20-15-16-22(4,5)6;3*1-3-4-2;/h9,11,13H,10,12,14-17H2,1-8H3;3*1,3-4H2,2H3;/b11-9+;;;;.
What are the key properties of tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane?
tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane has a molecular weight of 649.74 g/mol, XLogP of 10.43, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane is sourced from PubChem (CID 10532271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).