tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane

C25H56OSi2Sn — CID 14006077

IUPACtert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29OSi2.3C4H9.Sn/c1-13(2,3)16(7,8)14-11-9-10-12-15(4,5)6;3*1-3-4-2;/h10H,11-12H2,1-8H3;3*1,3-4H2,2H3;
InChIKeyWODHDVWHMVSZOE-UHFFFAOYSA-N
MW547.61 g/mol
LogP9.66
Rot. Bonds15

About tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane

tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane (PubChem CID 14006077) has the molecular formula C25H56OSi2Sn and a molecular weight of 547.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane
PubChem CID14006077
Molecular FormulaC25H56OSi2Sn
Molecular Weight547.61 g/mol
Exact Mass548.29
IUPAC Nametert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29OSi2.3C4H9.Sn/c1-13(2,3)16(7,8)14-11-9-10-12-15(4,5)6;3*1-3-4-2;/h10H,11-12H2,1-8H3;3*1,3-4H2,2H3;
InChIKeyWODHDVWHMVSZOE-UHFFFAOYSA-N
XLogP9.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.61
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-Crotyl alcohol, tert-butyldimethylsilyl ether
CID 11217677
Tert-butyldimethyl((3-methylbut-2-en-1-yl)oxy)silane
CID 11469722
1-Dimethylisopropylsilyloxy-3-methylbut-2-ene
CID 531285
2-Butene-1,4-diol, 2TBDMS derivative
CID 11141643
(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-tributylstannylbut-2-en-1-ol
CID 11294788
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
tert-butyl-[(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 13634985
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-tripropylsilyloxybut-2-ene
CID 531303
3-Methyl-1-trihexylsilyloxybut-2-ene
CID 531314

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane (CID 14006077) is tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane is CCCC[Sn](CCCC)(CCCC)/C(=C\C[Si](C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane?
The InChIKey is WODHDVWHMVSZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29OSi2.3C4H9.Sn/c1-13(2,3)16(7,8)14-11-9-10-12-15(4,5)6;3*1-3-4-2;/h10H,11-12H2,1-8H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane?
tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane has a molecular weight of 547.61 g/mol, XLogP of 9.66, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane is sourced from PubChem (CID 14006077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).