tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane

C28H58OSiSn — CID 134880189

IUPACtert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane
SMILESCCCC[Sn](C/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C16H31OSi.3C4H9.Sn/c1-9-14(2)11-10-12-15(3)13-17-18(7,8)16(4,5)6;3*1-3-4-2;/h9,12H,1,10-11,13H2,2-8H3;3*1,3-4H2,2H3;/b14-9+,15-12+;;;;
InChIKeySSBHQYKQYFRRMQ-MTYROMNFSA-N
MW557.57 g/mol
LogP10.53
Rot. Bonds17

About tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane

tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane (PubChem CID 134880189) has the molecular formula C28H58OSiSn and a molecular weight of 557.57 g/mol. Its IUPAC name is tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane
PubChem CID134880189
Molecular FormulaC28H58OSiSn
Molecular Weight557.57 g/mol
Exact Mass558.33
IUPAC Nametert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane
SMILESCCCC[Sn](C/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C16H31OSi.3C4H9.Sn/c1-9-14(2)11-10-12-15(3)13-17-18(7,8)16(4,5)6;3*1-3-4-2;/h9,12H,1,10-11,13H2,2-8H3;3*1,3-4H2,2H3;/b14-9+,15-12+;;;;
InChIKeySSBHQYKQYFRRMQ-MTYROMNFSA-N
XLogP10.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.57
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane (CID 134880189) is tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane is CCCC[Sn](C/C=C(\C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane?
The InChIKey is SSBHQYKQYFRRMQ-MTYROMNFSA-N. The full InChI is InChI=1S/C16H31OSi.3C4H9.Sn/c1-9-14(2)11-10-12-15(3)13-17-18(7,8)16(4,5)6;3*1-3-4-2;/h9,12H,1,10-11,13H2,2-8H3;3*1,3-4H2,2H3;/b14-9+,15-12+;;;;.
What are the key properties of tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane?
tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane has a molecular weight of 557.57 g/mol, XLogP of 10.53, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 134880189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).