[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate

C20H31NO3Si — CID 11279911

IUPAC[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC=C=C([C@H](O)c1ccccc1)[Si](C)(C)C)C(C)C
InChIInChI=1S/C20H31NO3Si/c1-15(2)21(16(3)4)20(23)24-14-13-18(25(5,6)7)19(22)17-11-9-8-10-12-17/h8-12,14-16,19,22H,1-7H3/t13?,19-/m1/s1
InChIKeyQLTGJOYYWKMMQI-GAGCMDECSA-N
MW361.56 g/mol
LogP4.89
Rot. Bonds6

About [(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate

[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate (PubChem CID 11279911) has the molecular formula C20H31NO3Si and a molecular weight of 361.56 g/mol. Its IUPAC name is [(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate
PubChem CID11279911
Molecular FormulaC20H31NO3Si
Molecular Weight361.56 g/mol
Exact Mass361.21
IUPAC Name[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC=C=C([C@H](O)c1ccccc1)[Si](C)(C)C)C(C)C
InChIInChI=1S/C20H31NO3Si/c1-15(2)21(16(3)4)20(23)24-14-13-18(25(5,6)7)19(22)17-11-9-8-10-12-17/h8-12,14-16,19,22H,1-7H3/t13?,19-/m1/s1
InChIKeyQLTGJOYYWKMMQI-GAGCMDECSA-N
XLogP4.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate (CID 11279911) is [(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OC=C=C([C@H](O)c1ccccc1)[Si](C)(C)C)C(C)C.
What is the InChIKey of [(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is QLTGJOYYWKMMQI-GAGCMDECSA-N. The full InChI is InChI=1S/C20H31NO3Si/c1-15(2)21(16(3)4)20(23)24-14-13-18(25(5,6)7)19(22)17-11-9-8-10-12-17/h8-12,14-16,19,22H,1-7H3/t13?,19-/m1/s1.
What are the key properties of [(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate?
[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 361.56 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 11279911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).