tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane

C20H42OSn — CID 10070568

IUPACtributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C\OCC)C(C)C
InChIInChI=1S/C8H15O.3C4H9.Sn/c1-4-9-7-5-6-8(2)3;3*1-3-4-2;/h5-8H,4H2,1-3H3;3*1,3-4H2,2H3;/b7-5-;;;;
InChIKeyALJKBVPJHXKBTG-IHQBDCQDSA-N
MW417.27 g/mol
LogP7.41
Rot. Bonds14

About tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane

tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane (PubChem CID 10070568) has the molecular formula C20H42OSn and a molecular weight of 417.27 g/mol. Its IUPAC name is tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane
PubChem CID10070568
Molecular FormulaC20H42OSn
Molecular Weight417.27 g/mol
Exact Mass418.23
IUPAC Nametributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C\OCC)C(C)C
InChIInChI=1S/C8H15O.3C4H9.Sn/c1-4-9-7-5-6-8(2)3;3*1-3-4-2;/h5-8H,4H2,1-3H3;3*1,3-4H2,2H3;/b7-5-;;;;
InChIKeyALJKBVPJHXKBTG-IHQBDCQDSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.27
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane?
The IUPAC name of tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane (CID 10070568) is tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane.
What is the SMILES notation for tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane?
The canonical SMILES for tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane is CCCC[Sn](CCCC)(CCCC)C(/C=C\OCC)C(C)C.
What is the InChIKey of tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane?
The InChIKey is ALJKBVPJHXKBTG-IHQBDCQDSA-N. The full InChI is InChI=1S/C8H15O.3C4H9.Sn/c1-4-9-7-5-6-8(2)3;3*1-3-4-2;/h5-8H,4H2,1-3H3;3*1,3-4H2,2H3;/b7-5-;;;;.
What are the key properties of tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane?
tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane has a molecular weight of 417.27 g/mol, XLogP of 7.41, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-1-ethoxy-4-methylpent-1-en-3-yl]stannane is sourced from PubChem (CID 10070568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).