trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane

C16H24Sn — CID 134983379

IUPACtrimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane
SMILESC=C(/C=C/[Sn](C)(C)C)C(C)(C)c1ccccc1
InChIInChI=1S/C13H15.3CH3.Sn/c1-5-11(2)13(3,4)12-9-7-6-8-10-12;;;;/h1,5-10H,2H2,3-4H3;3*1H3;
InChIKeyYRTQLTRKXHKRJS-UHFFFAOYSA-N
MW335.08 g/mol
LogP4.95
Rot. Bonds4

About trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane

trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane (PubChem CID 134983379) has the molecular formula C16H24Sn and a molecular weight of 335.08 g/mol. Its IUPAC name is trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane.

Molecular Properties

Compound Nametrimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane
PubChem CID134983379
Molecular FormulaC16H24Sn
Molecular Weight335.08 g/mol
Exact Mass336.09
IUPAC Nametrimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane
SMILESC=C(/C=C/[Sn](C)(C)C)C(C)(C)c1ccccc1
InChIInChI=1S/C13H15.3CH3.Sn/c1-5-11(2)13(3,4)12-9-7-6-8-10-12;;;;/h1,5-10H,2H2,3-4H3;3*1H3;
InChIKeyYRTQLTRKXHKRJS-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.08
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane?
The IUPAC name of trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane (CID 134983379) is trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane.
What is the SMILES notation for trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane?
The canonical SMILES for trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane is C=C(/C=C/[Sn](C)(C)C)C(C)(C)c1ccccc1.
What is the InChIKey of trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane?
The InChIKey is YRTQLTRKXHKRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15.3CH3.Sn/c1-5-11(2)13(3,4)12-9-7-6-8-10-12;;;;/h1,5-10H,2H2,3-4H3;3*1H3;.
What are the key properties of trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane?
trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane has a molecular weight of 335.08 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-4-methyl-3-methylidene-4-phenylpent-1-enyl]stannane is sourced from PubChem (CID 134983379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).