1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate

C13H27NO2Si — CID 13459260

IUPAC1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate
SMILESC=CC(OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C13H27NO2Si/c1-9-12(17(6,7)8)16-13(15)14(10(2)3)11(4)5/h9-12H,1H2,2-8H3
InChIKeyDPEBJDUPYCDZCN-UHFFFAOYSA-N
MW257.45 g/mol
LogP3.67
Rot. Bonds5

About 1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate

1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate (PubChem CID 13459260) has the molecular formula C13H27NO2Si and a molecular weight of 257.45 g/mol. Its IUPAC name is 1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate
PubChem CID13459260
Molecular FormulaC13H27NO2Si
Molecular Weight257.45 g/mol
Exact Mass257.18
IUPAC Name1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate
SMILESC=CC(OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C13H27NO2Si/c1-9-12(17(6,7)8)16-13(15)14(10(2)3)11(4)5/h9-12H,1H2,2-8H3
InChIKeyDPEBJDUPYCDZCN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
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 1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of 1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate (CID 13459260) is 1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for 1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for 1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate is C=CC(OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate?
The InChIKey is DPEBJDUPYCDZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2Si/c1-9-12(17(6,7)8)16-13(15)14(10(2)3)11(4)5/h9-12H,1H2,2-8H3.
What are the key properties of 1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate?
1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate has a molecular weight of 257.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylprop-2-enyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 13459260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).