[(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate

C19H31NO2Si — CID 10449509

IUPAC[(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC/C=C/C[Si](C)(C)c1ccccc1)C(C)C
InChIInChI=1S/C19H31NO2Si/c1-16(2)20(17(3)4)19(21)22-14-10-11-15-23(5,6)18-12-8-7-9-13-18/h7-13,16-17H,14-15H2,1-6H3/b11-10+
InChIKeyXFRARUIZJGOPFB-ZHACJKMWSA-N
MW333.55 g/mol
LogP4.41
Rot. Bonds7

About [(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate

[(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 10449509) has the molecular formula C19H31NO2Si and a molecular weight of 333.55 g/mol. Its IUPAC name is [(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID10449509
Molecular FormulaC19H31NO2Si
Molecular Weight333.55 g/mol
Exact Mass333.21
IUPAC Name[(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC/C=C/C[Si](C)(C)c1ccccc1)C(C)C
InChIInChI=1S/C19H31NO2Si/c1-16(2)20(17(3)4)19(21)22-14-10-11-15-23(5,6)18-12-8-7-9-13-18/h7-13,16-17H,14-15H2,1-6H3/b11-10+
InChIKeyXFRARUIZJGOPFB-ZHACJKMWSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 54.41
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 [(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate (CID 10449509) is [(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OC/C=C/C[Si](C)(C)c1ccccc1)C(C)C.
What is the InChIKey of [(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is XFRARUIZJGOPFB-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H31NO2Si/c1-16(2)20(17(3)4)19(21)22-14-10-11-15-23(5,6)18-12-8-7-9-13-18/h7-13,16-17H,14-15H2,1-6H3/b11-10+.
What are the key properties of [(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate?
[(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 333.55 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-[dimethyl(phenyl)silyl]but-2-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 10449509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).