tributyl-[(E)-hept-1-enyl]stannane

C19H40Sn — CID 11090348

IUPACtributyl-[(E)-hept-1-enyl]stannane
SMILESCCCCC/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H13.3C4H9.Sn/c1-3-5-7-6-4-2;3*1-3-4-2;/h1,3H,4-7H2,2H3;3*1,3-4H2,2H3;
InChIKeyAZQBDSBVOLXLQU-UHFFFAOYSA-N
MW387.24 g/mol
LogP7.51
Rot. Bonds14

About tributyl-[(E)-hept-1-enyl]stannane

tributyl-[(E)-hept-1-enyl]stannane (PubChem CID 11090348) has the molecular formula C19H40Sn and a molecular weight of 387.24 g/mol. Its IUPAC name is tributyl-[(E)-hept-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-hept-1-enyl]stannane
PubChem CID11090348
Molecular FormulaC19H40Sn
Molecular Weight387.24 g/mol
Exact Mass388.22
IUPAC Nametributyl-[(E)-hept-1-enyl]stannane
SMILESCCCCC/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H13.3C4H9.Sn/c1-3-5-7-6-4-2;3*1-3-4-2;/h1,3H,4-7H2,2H3;3*1,3-4H2,2H3;
InChIKeyAZQBDSBVOLXLQU-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.24
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-hept-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-hept-1-enyl]stannane (CID 11090348) is tributyl-[(E)-hept-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-hept-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-hept-1-enyl]stannane is CCCCC/C=C/[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-hept-1-enyl]stannane?
The InChIKey is AZQBDSBVOLXLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13.3C4H9.Sn/c1-3-5-7-6-4-2;3*1-3-4-2;/h1,3H,4-7H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-hept-1-enyl]stannane?
tributyl-[(E)-hept-1-enyl]stannane has a molecular weight of 387.24 g/mol, XLogP of 7.51, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-hept-1-enyl]stannane is sourced from PubChem (CID 11090348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).