tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane

C25H54OSiSn — CID 166439371

IUPACtri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane
SMILESCCCC[Sn](C/C=C/CO[Si](C(C)C)(C(C)C)C(C)C)(CCCC)CCCC
InChIInChI=1S/C13H27OSi.3C4H9.Sn/c1-8-9-10-14-15(11(2)3,12(4)5)13(6)7;3*1-3-4-2;/h8-9,11-13H,1,10H2,2-7H3;3*1,3-4H2,2H3;/b9-8+;;;;
InChIKeyGXZJUWINWLQWCZ-HUMMXKGPSA-N
MW517.50 g/mol
LogP9.58
Rot. Bonds17

About tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane

tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane (PubChem CID 166439371) has the molecular formula C25H54OSiSn and a molecular weight of 517.50 g/mol. Its IUPAC name is tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane
PubChem CID166439371
Molecular FormulaC25H54OSiSn
Molecular Weight517.50 g/mol
Exact Mass518.30
IUPAC Nametri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane
SMILESCCCC[Sn](C/C=C/CO[Si](C(C)C)(C(C)C)C(C)C)(CCCC)CCCC
InChIInChI=1S/C13H27OSi.3C4H9.Sn/c1-8-9-10-14-15(11(2)3,12(4)5)13(6)7;3*1-3-4-2;/h8-9,11-13H,1,10H2,2-7H3;3*1,3-4H2,2H3;/b9-8+;;;;
InChIKeyGXZJUWINWLQWCZ-HUMMXKGPSA-N
XLogP9.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.50
LogP ≤ 59.58
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

1-Trimethylsiloxy-2-butene
CID 5366916
trans-Crotyl alcohol, tert-butyldimethylsilyl ether
CID 11217677
Allyloxy(triethyl) silane
CID 575513
But-2-enoxy(trimethyl)silane
CID 554664
2-Butene-1,4-diol, 2TBDMS derivative
CID 11141643
tert-butyl-dimethyl-[(E)-3-tributylstannylprop-2-enoxy]silane
CID 10928648
(Z)-2,2,3,3,10,10,11,11-octamethyl-4,9-dioxa-3,10-disiladodec-6-ene
CID 11023522
2,2-Diisopropyl-4,7-dihydro-1,3,2-dioxasilepine
CID 12793734
Tri(propan-2-yl)-prop-2-enoxysilane
CID 13999041
tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane
CID 132569252
3-Methyl-1-triisobutylsilyloxybut-2-ene
CID 531259
3-Methyl-1-tributylsilyloxybut-2-ene
CID 531333

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane?
The IUPAC name of tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane (CID 166439371) is tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane is CCCC[Sn](C/C=C/CO[Si](C(C)C)(C(C)C)C(C)C)(CCCC)CCCC.
What is the InChIKey of tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane?
The InChIKey is GXZJUWINWLQWCZ-HUMMXKGPSA-N. The full InChI is InChI=1S/C13H27OSi.3C4H9.Sn/c1-8-9-10-14-15(11(2)3,12(4)5)13(6)7;3*1-3-4-2;/h8-9,11-13H,1,10H2,2-7H3;3*1,3-4H2,2H3;/b9-8+;;;;.
What are the key properties of tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane?
tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane has a molecular weight of 517.50 g/mol, XLogP of 9.58, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(E)-4-tributylstannylbut-2-enoxy]silane is sourced from PubChem (CID 166439371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).