tributyl(1-phenylprop-2-enyl)stannane

C21H36Sn — CID 11452525

IUPACtributyl(1-phenylprop-2-enyl)stannane
SMILESC=CC(c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H9.3C4H9.Sn/c1-2-6-9-7-4-3-5-8-9;3*1-3-4-2;/h2-8H,1H2;3*1,3-4H2,2H3;
InChIKeyPEAUDLMXHBTTFO-UHFFFAOYSA-N
MW407.23 g/mol
LogP7.34
Rot. Bonds12

About tributyl(1-phenylprop-2-enyl)stannane

tributyl(1-phenylprop-2-enyl)stannane (PubChem CID 11452525) has the molecular formula C21H36Sn and a molecular weight of 407.23 g/mol. Its IUPAC name is tributyl(1-phenylprop-2-enyl)stannane.

Molecular Properties

Compound Nametributyl(1-phenylprop-2-enyl)stannane
PubChem CID11452525
Molecular FormulaC21H36Sn
Molecular Weight407.23 g/mol
Exact Mass408.18
IUPAC Nametributyl(1-phenylprop-2-enyl)stannane
SMILESC=CC(c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H9.3C4H9.Sn/c1-2-6-9-7-4-3-5-8-9;3*1-3-4-2;/h2-8H,1H2;3*1,3-4H2,2H3;
InChIKeyPEAUDLMXHBTTFO-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.23
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methyl-diphenyl-(1-phenylprop-2-enyl)stannane
CID 10644959
(3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol
CID 134889352
tributyl(1-phenylprop-2-enyl)-λ4-sulfane
CID 69194174
triethyl-[(1S)-1-phenylprop-2-enyl]silane
CID 134981282
(1S)-2-ethenyl-1-phenylhexan-1-ol
CID 135057240
tributyl(1-phenylprop-2-enyl)azanium chloride
CID 22044442
[benzotriazol-1-yl(phenyl)methyl]-tributylstannane
CID 3746336
1-tridecoxyprop-2-enylbenzene
CID 139672746
1-nonadecoxyprop-2-enylbenzene
CID 139672742
N-[(1S)-1-phenylprop-2-enyl]hexan-1-amine
CID 11830897
1-(1-phenylpentoxy)prop-2-enylbenzene
CID 173002800
tridodecyl(1-phenylprop-2-enyl)azanium
CID 87960565

Frequently Asked Questions

What is the IUPAC name of tributyl(1-phenylprop-2-enyl)stannane?
The IUPAC name of tributyl(1-phenylprop-2-enyl)stannane (CID 11452525) is tributyl(1-phenylprop-2-enyl)stannane.
What is the SMILES notation for tributyl(1-phenylprop-2-enyl)stannane?
The canonical SMILES for tributyl(1-phenylprop-2-enyl)stannane is C=CC(c1ccccc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(1-phenylprop-2-enyl)stannane?
The InChIKey is PEAUDLMXHBTTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9.3C4H9.Sn/c1-2-6-9-7-4-3-5-8-9;3*1-3-4-2;/h2-8H,1H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl(1-phenylprop-2-enyl)stannane?
tributyl(1-phenylprop-2-enyl)stannane has a molecular weight of 407.23 g/mol, XLogP of 7.34, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(1-phenylprop-2-enyl)stannane is sourced from PubChem (CID 11452525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).