tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate

C20H41NO2Sn — CID 14934033

IUPACtert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate
SMILESCCCC[Sn](/C=C/CNC(=O)OC(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C8H14NO2.3C4H9.Sn/c1-5-6-9-7(10)11-8(2,3)4;3*1-3-4-2;/h1,5H,6H2,2-4H3,(H,9,10);3*1,3-4H2,2H3;
InChIKeyZWBSCNSTISCAPA-UHFFFAOYSA-N
MW446.26 g/mol
LogP6.46
Rot. Bonds12

About tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate

tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate (PubChem CID 14934033) has the molecular formula C20H41NO2Sn and a molecular weight of 446.26 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate
PubChem CID14934033
Molecular FormulaC20H41NO2Sn
Molecular Weight446.26 g/mol
Exact Mass447.22
IUPAC Nametert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate
SMILESCCCC[Sn](/C=C/CNC(=O)OC(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C8H14NO2.3C4H9.Sn/c1-5-6-9-7(10)11-8(2,3)4;3*1-3-4-2;/h1,5H,6H2,2-4H3,(H,9,10);3*1,3-4H2,2H3;
InChIKeyZWBSCNSTISCAPA-UHFFFAOYSA-N
XLogP6.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.26
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate (CID 14934033) is tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate is CCCC[Sn](/C=C/CNC(=O)OC(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate?
The InChIKey is ZWBSCNSTISCAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO2.3C4H9.Sn/c1-5-6-9-7(10)11-8(2,3)4;3*1-3-4-2;/h1,5H,6H2,2-4H3,(H,9,10);3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate?
tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate has a molecular weight of 446.26 g/mol, XLogP of 6.46, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-tributylstannylprop-2-enyl]carbamate is sourced from PubChem (CID 14934033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).