tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane

C22H45NSn — CID 14250120

IUPACtributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(C)/C=C(\CC)N1CCCC1
InChIInChI=1S/C10H18N.3C4H9.Sn/c1-3-7-10(4-2)11-8-5-6-9-11;3*1-3-4-2;/h3,7H,4-6,8-9H2,1-2H3;3*1,3-4H2,2H3;/b10-7+;;;;
InChIKeyBIOGPFGWOPIWSG-VUVJVRPPSA-N
MW442.32 g/mol
LogP7.62
Rot. Bonds13

About tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane

tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane (PubChem CID 14250120) has the molecular formula C22H45NSn and a molecular weight of 442.32 g/mol. Its IUPAC name is tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane
PubChem CID14250120
Molecular FormulaC22H45NSn
Molecular Weight442.32 g/mol
Exact Mass443.26
IUPAC Nametributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(C)/C=C(\CC)N1CCCC1
InChIInChI=1S/C10H18N.3C4H9.Sn/c1-3-7-10(4-2)11-8-5-6-9-11;3*1-3-4-2;/h3,7H,4-6,8-9H2,1-2H3;3*1,3-4H2,2H3;/b10-7+;;;;
InChIKeyBIOGPFGWOPIWSG-VUVJVRPPSA-N
XLogP7.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.32
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane?
The IUPAC name of tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane (CID 14250120) is tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane.
What is the SMILES notation for tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane?
The canonical SMILES for tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)C(C)/C=C(\CC)N1CCCC1.
What is the InChIKey of tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane?
The InChIKey is BIOGPFGWOPIWSG-VUVJVRPPSA-N. The full InChI is InChI=1S/C10H18N.3C4H9.Sn/c1-3-7-10(4-2)11-8-5-6-9-11;3*1-3-4-2;/h3,7H,4-6,8-9H2,1-2H3;3*1,3-4H2,2H3;/b10-7+;;;;.
What are the key properties of tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane?
tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane has a molecular weight of 442.32 g/mol, XLogP of 7.62, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-4-pyrrolidin-1-ylhex-3-en-2-yl]stannane is sourced from PubChem (CID 14250120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).