[(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane

C37H82O3Si3Sn — CID 10700411

IUPAC[(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane
SMILESCCCC[Sn](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C25H55O3Si3.3C4H9.Sn/c1-17-21(27-30(13,14)24(5,6)7)22(28-31(15,16)25(8,9)10)19-18-20-26-29(11,12)23(2,3)4;3*1-3-4-2;/h1,17,21-22H,18-20H2,2-16H3;3*1,3-4H2,2H3;/t21-,22+;;;;/m1..../s1
InChIKeyBWJSTOVBRDYELD-BVDNDJHXSA-N
MW778.03 g/mol
LogP13.51
Rot. Bonds21

About [(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane

[(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane (PubChem CID 10700411) has the molecular formula C37H82O3Si3Sn and a molecular weight of 778.03 g/mol. Its IUPAC name is [(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane
PubChem CID10700411
Molecular FormulaC37H82O3Si3Sn
Molecular Weight778.03 g/mol
Exact Mass778.46
IUPAC Name[(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane
SMILESCCCC[Sn](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C25H55O3Si3.3C4H9.Sn/c1-17-21(27-30(13,14)24(5,6)7)22(28-31(15,16)25(8,9)10)19-18-20-26-29(11,12)23(2,3)4;3*1-3-4-2;/h1,17,21-22H,18-20H2,2-16H3;3*1,3-4H2,2H3;/t21-,22+;;;;/m1..../s1
InChIKeyBWJSTOVBRDYELD-BVDNDJHXSA-N
XLogP13.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.03
LogP ≤ 513.51
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'}

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Related Compounds

(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol
CID 177475405
tert-butyl-dimethyl-[(3R)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 173153144
tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane
CID 87758729
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannylhept-6-enoate
CID 57407910
[(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 131741561
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane
CID 15315171
(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 11468178
trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
CID 10530881
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one
CID 11488700
(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol
CID 10815797
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane (CID 10700411) is [(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane is CCCC[Sn](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of [(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane?
The InChIKey is BWJSTOVBRDYELD-BVDNDJHXSA-N. The full InChI is InChI=1S/C25H55O3Si3.3C4H9.Sn/c1-17-21(27-30(13,14)24(5,6)7)22(28-31(15,16)25(8,9)10)19-18-20-26-29(11,12)23(2,3)4;3*1-3-4-2;/h1,17,21-22H,18-20H2,2-16H3;3*1,3-4H2,2H3;/t21-,22+;;;;/m1..../s1.
What are the key properties of [(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane?
[(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane has a molecular weight of 778.03 g/mol, XLogP of 13.51, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10700411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).