tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane

C27H56OSiSn — CID 24865146

IUPACtert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane
SMILESC=C(C[C@@H](C)C/C=C/CO[Si](C)(C)C(C)(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H29OSi.3C4H9.Sn/c1-8-11-14(2)12-9-10-13-16-17(6,7)15(3,4)5;3*1-3-4-2;/h9-10,14H,1,11-13H2,2-7H3;3*1,3-4H2,2H3;/b10-9+;;;;/t14-;;;;/m1..../s1
InChIKeyWLFIUEOVOLFRQQ-BXGUSKIPSA-N
MW543.54 g/mol
LogP9.93
Rot. Bonds17

About tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane

tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane (PubChem CID 24865146) has the molecular formula C27H56OSiSn and a molecular weight of 543.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane
PubChem CID24865146
Molecular FormulaC27H56OSiSn
Molecular Weight543.54 g/mol
Exact Mass544.31
IUPAC Nametert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane
SMILESC=C(C[C@@H](C)C/C=C/CO[Si](C)(C)C(C)(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H29OSi.3C4H9.Sn/c1-8-11-14(2)12-9-10-13-16-17(6,7)15(3,4)5;3*1-3-4-2;/h9-10,14H,1,11-13H2,2-7H3;3*1,3-4H2,2H3;/b10-9+;;;;/t14-;;;;/m1..../s1
InChIKeyWLFIUEOVOLFRQQ-BXGUSKIPSA-N
XLogP9.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.54
LogP ≤ 59.93
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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Related Compounds

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
1-Triisobutylsilyloxyundec-2-ene
CID 5353181
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
trans-2-Decen-1-ol, tert-butyldimethylsilyl ether
CID 13033704
(+/-)-Lavandulol, TBDMS derivative
CID 14845988
trans-2-Dodecen-1-ol, tert-butyldimethylsilyl ether
CID 91697346
[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane
CID 11472396
Tert-butyl-dimethyl-(5-methylcyclopent-2-en-1-yl)oxysilane
CID 134878754
tert-butyl-[(2E,6E)-2,6-dimethyl-8-tributylstannylocta-2,6-dienoxy]-dimethylsilane
CID 134880189

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane (CID 24865146) is tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane is C=C(C[C@@H](C)C/C=C/CO[Si](C)(C)C(C)(C)C)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane?
The InChIKey is WLFIUEOVOLFRQQ-BXGUSKIPSA-N. The full InChI is InChI=1S/C15H29OSi.3C4H9.Sn/c1-8-11-14(2)12-9-10-13-16-17(6,7)15(3,4)5;3*1-3-4-2;/h9-10,14H,1,11-13H2,2-7H3;3*1,3-4H2,2H3;/b10-9+;;;;/t14-;;;;/m1..../s1.
What are the key properties of tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane?
tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane has a molecular weight of 543.54 g/mol, XLogP of 9.93, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane is sourced from PubChem (CID 24865146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).