[(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate

C23H29F2NO3Si — CID 172719132

IUPAC[(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate
SMILESC=CC(F)(F)[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(N)=O
InChIInChI=1S/C23H29F2NO3Si/c1-5-23(24,25)20(29-21(26)27)16-17-28-30(22(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20H,1,16-17H2,2-4H3,(H2,26,27)/t20-/m1/s1
InChIKeyGGODNSCRGUVNAW-HXUWFJFHSA-N
MW433.57 g/mol
LogP4.24
Rot. Bonds9

About [(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate

[(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate (PubChem CID 172719132) has the molecular formula C23H29F2NO3Si and a molecular weight of 433.57 g/mol. Its IUPAC name is [(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate.

Molecular Properties

Compound Name[(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate
PubChem CID172719132
Molecular FormulaC23H29F2NO3Si
Molecular Weight433.57 g/mol
Exact Mass433.19
IUPAC Name[(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate
SMILESC=CC(F)(F)[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(N)=O
InChIInChI=1S/C23H29F2NO3Si/c1-5-23(24,25)20(29-21(26)27)16-17-28-30(22(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20H,1,16-17H2,2-4H3,(H2,26,27)/t20-/m1/s1
InChIKeyGGODNSCRGUVNAW-HXUWFJFHSA-N
XLogP4.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-carbamoyloxy-3-fluorohex-2-enyl] benzoate
CID 172792551
prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
CID 58842048
ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate
CID 140759715
[3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate
CID 175494998
(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol
CID 10788581
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
(6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal
CID 10648349
(E,3S)-1-[tert-butyl(diphenyl)silyl]oxy-7-iodohept-6-en-3-ol
CID 155931189
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795
4-[tert-butyl(diphenyl)silyl]oxy-2-dimethoxyphosphorylbutanoic acid
CID 71561246
2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate
CID 11388241

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate?
The IUPAC name of [(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate (CID 172719132) is [(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate.
What is the SMILES notation for [(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate?
The canonical SMILES for [(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate is C=CC(F)(F)[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(N)=O.
What is the InChIKey of [(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate?
The InChIKey is GGODNSCRGUVNAW-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29F2NO3Si/c1-5-23(24,25)20(29-21(26)27)16-17-28-30(22(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20H,1,16-17H2,2-4H3,(H2,26,27)/t20-/m1/s1.
What are the key properties of [(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate?
[(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate has a molecular weight of 433.57 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate is sourced from PubChem (CID 172719132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).