propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate

C11H23NO2Si — CID 154720373

IUPACpropan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate
SMILESC/C=C/[C@@H](NC(=O)OC(C)C)[Si](C)(C)C
InChIInChI=1S/C11H23NO2Si/c1-7-8-10(15(4,5)6)12-11(13)14-9(2)3/h7-10H,1-6H3,(H,12,13)/b8-7+/t10-/m0/s1
InChIKeyANYRDVVIBQSZDM-JARNTUPDSA-N
MW229.40 g/mol
LogP2.94
Rot. Bonds4

About propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate

propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate (PubChem CID 154720373) has the molecular formula C11H23NO2Si and a molecular weight of 229.40 g/mol. Its IUPAC name is propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate
PubChem CID154720373
Molecular FormulaC11H23NO2Si
Molecular Weight229.40 g/mol
Exact Mass229.15
IUPAC Namepropan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate
SMILESC/C=C/[C@@H](NC(=O)OC(C)C)[Si](C)(C)C
InChIInChI=1S/C11H23NO2Si/c1-7-8-10(15(4,5)6)12-11(13)14-9(2)3/h7-10H,1-6H3,(H,12,13)/b8-7+/t10-/m0/s1
InChIKeyANYRDVVIBQSZDM-JARNTUPDSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate?
The IUPAC name of propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate (CID 154720373) is propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate?
The canonical SMILES for propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate is C/C=C/[C@@H](NC(=O)OC(C)C)[Si](C)(C)C.
What is the InChIKey of propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate?
The InChIKey is ANYRDVVIBQSZDM-JARNTUPDSA-N. The full InChI is InChI=1S/C11H23NO2Si/c1-7-8-10(15(4,5)6)12-11(13)14-9(2)3/h7-10H,1-6H3,(H,12,13)/b8-7+/t10-/m0/s1.
What are the key properties of propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate?
propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate has a molecular weight of 229.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(E,1S)-1-trimethylsilylbut-2-enyl]carbamate is sourced from PubChem (CID 154720373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).