3-trimethylstannylpropyl N-tert-butylcarbamate

C11H25NO2Sn — CID 88709237

IUPAC3-trimethylstannylpropyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCC[Sn](C)(C)C
InChIInChI=1S/C8H16NO2.3CH3.Sn/c1-5-6-11-7(10)9-8(2,3)4;;;;/h1,5-6H2,2-4H3,(H,9,10);3*1H3;
InChIKeyZOKGBSCLGUMUMK-UHFFFAOYSA-N
MW322.04 g/mol
LogP3.24
Rot. Bonds4

About 3-trimethylstannylpropyl N-tert-butylcarbamate

3-trimethylstannylpropyl N-tert-butylcarbamate (PubChem CID 88709237) has the molecular formula C11H25NO2Sn and a molecular weight of 322.04 g/mol. Its IUPAC name is 3-trimethylstannylpropyl N-tert-butylcarbamate.

Molecular Properties

Compound Name3-trimethylstannylpropyl N-tert-butylcarbamate
PubChem CID88709237
Molecular FormulaC11H25NO2Sn
Molecular Weight322.04 g/mol
Exact Mass323.09
IUPAC Name3-trimethylstannylpropyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCC[Sn](C)(C)C
InChIInChI=1S/C8H16NO2.3CH3.Sn/c1-5-6-11-7(10)9-8(2,3)4;;;;/h1,5-6H2,2-4H3,(H,9,10);3*1H3;
InChIKeyZOKGBSCLGUMUMK-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.04
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-trimethylstannylpropyl N-tert-butylcarbamate?
The IUPAC name of 3-trimethylstannylpropyl N-tert-butylcarbamate (CID 88709237) is 3-trimethylstannylpropyl N-tert-butylcarbamate.
What is the SMILES notation for 3-trimethylstannylpropyl N-tert-butylcarbamate?
The canonical SMILES for 3-trimethylstannylpropyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCC[Sn](C)(C)C.
What is the InChIKey of 3-trimethylstannylpropyl N-tert-butylcarbamate?
The InChIKey is ZOKGBSCLGUMUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2.3CH3.Sn/c1-5-6-11-7(10)9-8(2,3)4;;;;/h1,5-6H2,2-4H3,(H,9,10);3*1H3;.
What are the key properties of 3-trimethylstannylpropyl N-tert-butylcarbamate?
3-trimethylstannylpropyl N-tert-butylcarbamate has a molecular weight of 322.04 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylstannylpropyl N-tert-butylcarbamate is sourced from PubChem (CID 88709237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).