tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate

C27H56O3SiSn — CID 136590573

IUPACtert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(=O)OC(C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29O3Si.3C4H9.Sn/c1-14(2,3)18-13(16)11-9-10-12-17-19(7,8)15(4,5)6;3*1-3-4-2;/h11H,10,12H2,1-8H3;3*1,3-4H2,2H3;
InChIKeyXJBWIGFCGNOWHG-UHFFFAOYSA-N
MW575.54 g/mol
LogP9.05
Rot. Bonds15

About tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate

tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate (PubChem CID 136590573) has the molecular formula C27H56O3SiSn and a molecular weight of 575.54 g/mol. Its IUPAC name is tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate
PubChem CID136590573
Molecular FormulaC27H56O3SiSn
Molecular Weight575.54 g/mol
Exact Mass576.30
IUPAC Nametert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/C(=O)OC(C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29O3Si.3C4H9.Sn/c1-14(2,3)18-13(16)11-9-10-12-17-19(7,8)15(4,5)6;3*1-3-4-2;/h11H,10,12H2,1-8H3;3*1,3-4H2,2H3;
InChIKeyXJBWIGFCGNOWHG-UHFFFAOYSA-N
XLogP9.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.54
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-tributylstannylpent-2-en-1-one
CID 10973945
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane
CID 177480372
(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-yl-3-tributylstannylpent-2-en-1-ol
CID 11039475
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-ol
CID 134947532
methyl 11-(oxan-2-yloxy)-3-tributylstannylundec-2-enoate
CID 78005541
tert-butyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxononan-2-yl]carbamate
CID 11523916
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025
[tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate
CID 10714716
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one
CID 11488700
tert-butyl-dimethyl-[(E)-4-[(S)-(4-methylphenyl)sulfinyl]-4-tributylstannylbut-3-enoxy]silane
CID 25139411
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate?
The IUPAC name of tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate (CID 136590573) is tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate.
What is the SMILES notation for tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate?
The canonical SMILES for tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate is CCCC[Sn](CCCC)(CCCC)/C(=C/C(=O)OC(C)(C)C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate?
The InChIKey is XJBWIGFCGNOWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29O3Si.3C4H9.Sn/c1-14(2,3)18-13(16)11-9-10-12-17-19(7,8)15(4,5)6;3*1-3-4-2;/h11H,10,12H2,1-8H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate?
tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate has a molecular weight of 575.54 g/mol, XLogP of 9.05, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylpent-2-enoate is sourced from PubChem (CID 136590573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).