tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane

C24H42Sn — CID 164897834

IUPACtributyl-[1-(4-tert-butylphenyl)ethenyl]stannane
SMILESC=C(c1ccc(C(C)(C)C)cc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H15.3C4H9.Sn/c1-5-10-6-8-11(9-7-10)12(2,3)4;3*1-3-4-2;/h6-9H,1H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyWXRRJHKGXCBHJX-UHFFFAOYSA-N
MW449.31 g/mol
LogP8.39
Rot. Bonds11

About tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane

tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane (PubChem CID 164897834) has the molecular formula C24H42Sn and a molecular weight of 449.31 g/mol. Its IUPAC name is tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane.

Molecular Properties

Compound Nametributyl-[1-(4-tert-butylphenyl)ethenyl]stannane
PubChem CID164897834
Molecular FormulaC24H42Sn
Molecular Weight449.31 g/mol
Exact Mass450.23
IUPAC Nametributyl-[1-(4-tert-butylphenyl)ethenyl]stannane
SMILESC=C(c1ccc(C(C)(C)C)cc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H15.3C4H9.Sn/c1-5-10-6-8-11(9-7-10)12(2,3)4;3*1-3-4-2;/h6-9H,1H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyWXRRJHKGXCBHJX-UHFFFAOYSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.31
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 102332015
4-tert-butylbenzoic acid;tetrabutylazanium
CID 66598931
tributyl(1-naphthalen-1-ylethenyl)stannane
CID 164897837
1-(4-tert-butylphenyl)dodecan-1-one
CID 146005513
1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
CID 23369110
S-(4-tert-butylphenyl) 2-tributylstannylethanethioate
CID 88790821
4-tert-butyl-N-nonylbenzamide
CID 4642451
N'-butyl-4-tert-butylbenzohydrazide
CID 117094788
2-methyl-4-tributylstannylpent-4-en-2-ol
CID 15155654
tridecyl 4-tert-butylbenzoate
CID 91724016
tert-butylbenzene;hexane
CID 175254424
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867

Frequently Asked Questions

What is the IUPAC name of tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane?
The IUPAC name of tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane (CID 164897834) is tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane.
What is the SMILES notation for tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane?
The canonical SMILES for tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane is C=C(c1ccc(C(C)(C)C)cc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane?
The InChIKey is WXRRJHKGXCBHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15.3C4H9.Sn/c1-5-10-6-8-11(9-7-10)12(2,3)4;3*1-3-4-2;/h6-9H,1H2,2-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane?
tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane has a molecular weight of 449.31 g/mol, XLogP of 8.39, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[1-(4-tert-butylphenyl)ethenyl]stannane is sourced from PubChem (CID 164897834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).