3-methoxyprop-1-ynyl(triphenyl)stannane

C22H20OSn — CID 11304672

IUPAC3-methoxyprop-1-ynyl(triphenyl)stannane
SMILESCOCC#C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C4H5O.Sn/c3*1-2-4-6-5-3-1;1-3-4-5-2;/h3*1-5H;4H2,2H3;
InChIKeySYESQTUMXSYJFK-UHFFFAOYSA-N
MW419.11 g/mol
LogP2.35
Rot. Bonds4

About 3-methoxyprop-1-ynyl(triphenyl)stannane

3-methoxyprop-1-ynyl(triphenyl)stannane (PubChem CID 11304672) has the molecular formula C22H20OSn and a molecular weight of 419.11 g/mol. Its IUPAC name is 3-methoxyprop-1-ynyl(triphenyl)stannane.

Molecular Properties

Compound Name3-methoxyprop-1-ynyl(triphenyl)stannane
PubChem CID11304672
Molecular FormulaC22H20OSn
Molecular Weight419.11 g/mol
Exact Mass420.05
IUPAC Name3-methoxyprop-1-ynyl(triphenyl)stannane
SMILESCOCC#C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C4H5O.Sn/c3*1-2-4-6-5-3-1;1-3-4-5-2;/h3*1-5H;4H2,2H3;
InChIKeySYESQTUMXSYJFK-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.11
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyprop-1-ynyl(triphenyl)stannane?
The IUPAC name of 3-methoxyprop-1-ynyl(triphenyl)stannane (CID 11304672) is 3-methoxyprop-1-ynyl(triphenyl)stannane.
What is the SMILES notation for 3-methoxyprop-1-ynyl(triphenyl)stannane?
The canonical SMILES for 3-methoxyprop-1-ynyl(triphenyl)stannane is COCC#C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methoxyprop-1-ynyl(triphenyl)stannane?
The InChIKey is SYESQTUMXSYJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C4H5O.Sn/c3*1-2-4-6-5-3-1;1-3-4-5-2;/h3*1-5H;4H2,2H3;.
What are the key properties of 3-methoxyprop-1-ynyl(triphenyl)stannane?
3-methoxyprop-1-ynyl(triphenyl)stannane has a molecular weight of 419.11 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyprop-1-ynyl(triphenyl)stannane is sourced from PubChem (CID 11304672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).