trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane

C23H46SiSn — CID 134969846

IUPACtrimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane
SMILESCCCC/C=C(\C#C[Si](C)(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H19Si.3C4H9.Sn/c1-5-6-7-8-9-10-11-12(2,3)4;3*1-3-4-2;/h8H,5-7H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyVUINOOMJHASMAU-UHFFFAOYSA-N
MW469.42 g/mol
LogP8.37
Rot. Bonds13

About trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane

trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane (PubChem CID 134969846) has the molecular formula C23H46SiSn and a molecular weight of 469.42 g/mol. Its IUPAC name is trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane
PubChem CID134969846
Molecular FormulaC23H46SiSn
Molecular Weight469.42 g/mol
Exact Mass470.24
IUPAC Nametrimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane
SMILESCCCC/C=C(\C#C[Si](C)(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H19Si.3C4H9.Sn/c1-5-6-7-8-9-10-11-12(2,3)4;3*1-3-4-2;/h8H,5-7H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyVUINOOMJHASMAU-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.42
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(E)-oct-3-en-1-ynyl]silane
CID 13679641
trimethyl-[(E)-3-tributylstannyldec-3-en-1-ynyl]silane
CID 14660647
trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane
CID 11015863
trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane
CID 11431062
trimethyl-[(Z)-11-tri(propan-2-yl)silylundec-8-en-1,3,10-triynyl]silane
CID 11474191
[(E)-hexadec-7-en-10-yn-7-yl]-trimethylsilane
CID 13168378
trimethyl-[(E)-1-tributylstannylhex-2-enyl]silane
CID 135007438
5-Butyl-1,1-bis(hex-1-ynyl)-2,3-dihydrosilole
CID 139241203
5-butyl-1-[(Z)-hex-1-enyl]-1-hex-1-ynyl-2,3-dihydrosilole
CID 139241205
[(Z)-3-fluorooct-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 10684340
tri(propan-2-yl)-[(E)-3-propylhept-3-en-1-ynyl]silane
CID 102322011
Trimethyl-(6,10,14-trimethyl-pentadeca-5,9,13-trien-1-ynyl)-silane
CID 73095183

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane?
The IUPAC name of trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane (CID 134969846) is trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane is CCCC/C=C(\C#C[Si](C)(C)C)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane?
The InChIKey is VUINOOMJHASMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Si.3C4H9.Sn/c1-5-6-7-8-9-10-11-12(2,3)4;3*1-3-4-2;/h8H,5-7H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane?
trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane has a molecular weight of 469.42 g/mol, XLogP of 8.37, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-3-tributylstannyloct-3-en-1-ynyl]silane is sourced from PubChem (CID 134969846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).