trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane

C24H50O2SiSn — CID 134901603

IUPACtrimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\[Si](C)(C)C)CCOC1CCCCO1
InChIInChI=1S/C12H23O2Si.3C4H9.Sn/c1-15(2,3)11-7-6-10-14-12-8-4-5-9-13-12;3*1-3-4-2;/h11-12H,4-6,8-10H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyFMBMWRHRUKPLSI-UHFFFAOYSA-N
MW517.46 g/mol
LogP8.11
Rot. Bonds15

About trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane

trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane (PubChem CID 134901603) has the molecular formula C24H50O2SiSn and a molecular weight of 517.46 g/mol. Its IUPAC name is trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane
PubChem CID134901603
Molecular FormulaC24H50O2SiSn
Molecular Weight517.46 g/mol
Exact Mass518.26
IUPAC Nametrimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\[Si](C)(C)C)CCOC1CCCCO1
InChIInChI=1S/C12H23O2Si.3C4H9.Sn/c1-15(2,3)11-7-6-10-14-12-8-4-5-9-13-12;3*1-3-4-2;/h11-12H,4-6,8-10H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyFMBMWRHRUKPLSI-UHFFFAOYSA-N
XLogP8.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.46
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane?
The IUPAC name of trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane (CID 134901603) is trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane.
What is the SMILES notation for trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane?
The canonical SMILES for trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane is CCCC[Sn](CCCC)(CCCC)/C(=C\[Si](C)(C)C)CCOC1CCCCO1.
What is the InChIKey of trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane?
The InChIKey is FMBMWRHRUKPLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O2Si.3C4H9.Sn/c1-15(2,3)11-7-6-10-14-12-8-4-5-9-13-12;3*1-3-4-2;/h11-12H,4-6,8-10H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane?
trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane has a molecular weight of 517.46 g/mol, XLogP of 8.11, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-4-(oxan-2-yloxy)-2-tributylstannylbut-1-enyl]silane is sourced from PubChem (CID 134901603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).