benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate

C29H34FNO3Si — CID 101426770

IUPACbenzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate
SMILESCC(C)(C)[Si](OCC/C=C(\F)CNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34FNO3Si/c1-29(2,3)35(26-17-9-5-10-18-26,27-19-11-6-12-20-27)34-21-13-16-25(30)22-31-28(32)33-23-24-14-7-4-8-15-24/h4-12,14-20H,13,21-23H2,1-3H3,(H,31,32)/b25-16-
InChIKeyXWKBCWCSAJWMAQ-XYGWBWBKSA-N
MW491.68 g/mol
LogP5.73
Rot. Bonds10

About benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate

benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate (PubChem CID 101426770) has the molecular formula C29H34FNO3Si and a molecular weight of 491.68 g/mol. Its IUPAC name is benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate
PubChem CID101426770
Molecular FormulaC29H34FNO3Si
Molecular Weight491.68 g/mol
Exact Mass491.23
IUPAC Namebenzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate
SMILESCC(C)(C)[Si](OCC/C=C(\F)CNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34FNO3Si/c1-29(2,3)35(26-17-9-5-10-18-26,27-19-11-6-12-20-27)34-21-13-16-25(30)22-31-28(32)33-23-24-14-7-4-8-15-24/h4-12,14-20H,13,21-23H2,1-3H3,(H,31,32)/b25-16-
InChIKeyXWKBCWCSAJWMAQ-XYGWBWBKSA-N
XLogP5.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate?
The IUPAC name of benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate (CID 101426770) is benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate?
The canonical SMILES for benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate is CC(C)(C)[Si](OCC/C=C(\F)CNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate?
The InChIKey is XWKBCWCSAJWMAQ-XYGWBWBKSA-N. The full InChI is InChI=1S/C29H34FNO3Si/c1-29(2,3)35(26-17-9-5-10-18-26,27-19-11-6-12-20-27)34-21-13-16-25(30)22-31-28(32)33-23-24-14-7-4-8-15-24/h4-12,14-20H,13,21-23H2,1-3H3,(H,31,32)/b25-16-.
What are the key properties of benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate?
benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate has a molecular weight of 491.68 g/mol, XLogP of 5.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enyl]carbamate is sourced from PubChem (CID 101426770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).