[(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate

C19H31NO2Si — CID 10616671

IUPAC[(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O[C@@H](/C=C/c1ccccc1)[Si](C)(C)C)C(C)C
InChIInChI=1S/C19H31NO2Si/c1-15(2)20(16(3)4)19(21)22-18(23(5,6)7)14-13-17-11-9-8-10-12-17/h8-16,18H,1-7H3/b14-13+/t18-/m1/s1
InChIKeyQOPWZGKVOWWMNH-KAUXGEHWSA-N
MW333.55 g/mol
LogP5.20
Rot. Bonds6

About [(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate

[(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 10616671) has the molecular formula C19H31NO2Si and a molecular weight of 333.55 g/mol. Its IUPAC name is [(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID10616671
Molecular FormulaC19H31NO2Si
Molecular Weight333.55 g/mol
Exact Mass333.21
IUPAC Name[(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O[C@@H](/C=C/c1ccccc1)[Si](C)(C)C)C(C)C
InChIInChI=1S/C19H31NO2Si/c1-15(2)20(16(3)4)19(21)22-18(23(5,6)7)14-13-17-11-9-8-10-12-17/h8-16,18H,1-7H3/b14-13+/t18-/m1/s1
InChIKeyQOPWZGKVOWWMNH-KAUXGEHWSA-N
XLogP5.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.55
LogP ≤ 55.20
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,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate (CID 10616671) is [(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)O[C@@H](/C=C/c1ccccc1)[Si](C)(C)C)C(C)C.
What is the InChIKey of [(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is QOPWZGKVOWWMNH-KAUXGEHWSA-N. The full InChI is InChI=1S/C19H31NO2Si/c1-15(2)20(16(3)4)19(21)22-18(23(5,6)7)14-13-17-11-9-8-10-12-17/h8-16,18H,1-7H3/b14-13+/t18-/m1/s1.
What are the key properties of [(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate?
[(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 333.55 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 10616671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).