[(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate

C30H34FNO5Si — CID 172792551

IUPAC[(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate
SMILESCC(C)(C)[Si](OCC[C@@H](OC(N)=O)/C(F)=C/COC(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34FNO5Si/c1-30(2,3)38(24-15-9-5-10-16-24,25-17-11-6-12-18-25)36-22-20-27(37-29(32)34)26(31)19-21-35-28(33)23-13-7-4-8-14-23/h4-19,27H,20-22H2,1-3H3,(H2,32,34)/b26-19-/t27-/m1/s1
InChIKeyPTOFJYVIKFSEDB-MIKFSWKUSA-N
MW535.69 g/mol
LogP5.13
Rot. Bonds11

About [(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate

[(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate (PubChem CID 172792551) has the molecular formula C30H34FNO5Si and a molecular weight of 535.69 g/mol. Its IUPAC name is [(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate.

Molecular Properties

Compound Name[(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate
PubChem CID172792551
Molecular FormulaC30H34FNO5Si
Molecular Weight535.69 g/mol
Exact Mass535.22
IUPAC Name[(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate
SMILESCC(C)(C)[Si](OCC[C@@H](OC(N)=O)/C(F)=C/COC(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34FNO5Si/c1-30(2,3)38(24-15-9-5-10-16-24,25-17-11-6-12-18-25)36-22-20-27(37-29(32)34)26(31)19-21-35-28(33)23-13-7-4-8-14-23/h4-19,27H,20-22H2,1-3H3,(H2,32,34)/b26-19-/t27-/m1/s1
InChIKeyPTOFJYVIKFSEDB-MIKFSWKUSA-N
XLogP5.13
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate with MolForge

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Related Compounds

[(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate
CID 172719132
[3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate
CID 175494998
[6-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-oxohexa-3,4-dienyl] benzoate
CID 10552890
[(E,2R,3S)-8-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxy-2,6-dimethyloct-6-en-3-yl] benzoate
CID 10768955
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol
CID 102228376
[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-fluorocyclopropyl]methyl benzoate
CID 142743872
prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
CID 58842048
[(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate
CID 10767465
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955

Frequently Asked Questions

What is the IUPAC name of [(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate?
The IUPAC name of [(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate (CID 172792551) is [(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate.
What is the SMILES notation for [(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate?
The canonical SMILES for [(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate is CC(C)(C)[Si](OCC[C@@H](OC(N)=O)/C(F)=C/COC(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate?
The InChIKey is PTOFJYVIKFSEDB-MIKFSWKUSA-N. The full InChI is InChI=1S/C30H34FNO5Si/c1-30(2,3)38(24-15-9-5-10-16-24,25-17-11-6-12-18-25)36-22-20-27(37-29(32)34)26(31)19-21-35-28(33)23-13-7-4-8-14-23/h4-19,27H,20-22H2,1-3H3,(H2,32,34)/b26-19-/t27-/m1/s1.
What are the key properties of [(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate?
[(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate has a molecular weight of 535.69 g/mol, XLogP of 5.13, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate is sourced from PubChem (CID 172792551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).