[(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate

C13H27NO2Si — CID 13436523

IUPAC[(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC/C=C/[Si](C)(C)C)C(C)C
InChIInChI=1S/C13H27NO2Si/c1-11(2)14(12(3)4)13(15)16-9-8-10-17(5,6)7/h8,10-12H,9H2,1-7H3/b10-8+
InChIKeyUIIBZFBCLDXJJC-CSKARUKUSA-N
MW257.45 g/mol
LogP3.68
Rot. Bonds5

About [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate

[(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 13436523) has the molecular formula C13H27NO2Si and a molecular weight of 257.45 g/mol. Its IUPAC name is [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID13436523
Molecular FormulaC13H27NO2Si
Molecular Weight257.45 g/mol
Exact Mass257.18
IUPAC Name[(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC/C=C/[Si](C)(C)C)C(C)C
InChIInChI=1S/C13H27NO2Si/c1-11(2)14(12(3)4)13(15)16-9-8-10-17(5,6)7/h8,10-12H,9H2,1-7H3/b10-8+
InChIKeyUIIBZFBCLDXJJC-CSKARUKUSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate (CID 13436523) is [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OC/C=C/[Si](C)(C)C)C(C)C.
What is the InChIKey of [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is UIIBZFBCLDXJJC-CSKARUKUSA-N. The full InChI is InChI=1S/C13H27NO2Si/c1-11(2)14(12(3)4)13(15)16-9-8-10-17(5,6)7/h8,10-12H,9H2,1-7H3/b10-8+.
What are the key properties of [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate?
[(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 257.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 13436523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).