tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate

C11H21NO2Sn — CID 134864340

IUPACtert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate
SMILESCC(C)(C)OC(=O)NC=C=C[Sn](C)(C)C
InChIInChI=1S/C8H12NO2.3CH3.Sn/c1-5-6-9-7(10)11-8(2,3)4;;;;/h1,6H,2-4H3,(H,9,10);3*1H3;
InChIKeyKTBLRZZCSUMOOH-UHFFFAOYSA-N
MW318.01 g/mol
LogP3.06
Rot. Bonds2

About tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate

tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate (PubChem CID 134864340) has the molecular formula C11H21NO2Sn and a molecular weight of 318.01 g/mol. Its IUPAC name is tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate
PubChem CID134864340
Molecular FormulaC11H21NO2Sn
Molecular Weight318.01 g/mol
Exact Mass319.06
IUPAC Nametert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate
SMILESCC(C)(C)OC(=O)NC=C=C[Sn](C)(C)C
InChIInChI=1S/C8H12NO2.3CH3.Sn/c1-5-6-9-7(10)11-8(2,3)4;;;;/h1,6H,2-4H3,(H,9,10);3*1H3;
InChIKeyKTBLRZZCSUMOOH-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.01
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 251740
(E)-tert-Butyl prop-1-en-1-ylcarbamate
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(Z)-tert-Butyl prop-1-en-1-ylcarbamate
CID 14333820
Carbamic acid, (2-methyl-1-propenyl)-, 1,1-dimethylethyl ester (9CI)
CID 14738325
1,1-Dimethylethyl N-(1E)-1,3-butadien-1-ylcarbamate
CID 19371457
tert-butyl N-[(Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
CID 59837873
tert-butyl N-[(E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
CID 134890002
tert-butyl N-[(E)-but-1-enyl]carbamate
CID 14738324
Tert-butyl N-buta-1,3-dienylcarbamate
CID 22897234
tert-butyl N-penta-2,3-dienylcarbamate
CID 45092387
tert-butyl N-prop-1-enylcarbamate
CID 71434977
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]carbamate
CID 72574886

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate?
The IUPAC name of tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate (CID 134864340) is tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate?
The canonical SMILES for tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate is CC(C)(C)OC(=O)NC=C=C[Sn](C)(C)C.
What is the InChIKey of tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate?
The InChIKey is KTBLRZZCSUMOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO2.3CH3.Sn/c1-5-6-9-7(10)11-8(2,3)4;;;;/h1,6H,2-4H3,(H,9,10);3*1H3;.
What are the key properties of tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate?
tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate has a molecular weight of 318.01 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-trimethylstannylpropa-1,2-dienyl)carbamate is sourced from PubChem (CID 134864340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).