[(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate

C33H41NO3Si — CID 134901002

IUPAC[(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate
SMILESC=CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCCC/C=C\C[Si](C)(C)C
InChIInChI=1S/C33H41NO3Si/c1-5-31(34-32(35)36-25-17-6-7-18-26-38(2,3)4)27-37-33(28-19-11-8-12-20-28,29-21-13-9-14-22-29)30-23-15-10-16-24-30/h5,7-16,18-24,31H,1,6,17,25-27H2,2-4H3,(H,34,35)/b18-7-
InChIKeyWHJOGNTZLDMTNI-WSVATBPTSA-N
MW527.78 g/mol
LogP7.95
Rot. Bonds14

About [(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate

[(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate (PubChem CID 134901002) has the molecular formula C33H41NO3Si and a molecular weight of 527.78 g/mol. Its IUPAC name is [(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate.

Molecular Properties

Compound Name[(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate
PubChem CID134901002
Molecular FormulaC33H41NO3Si
Molecular Weight527.78 g/mol
Exact Mass527.29
IUPAC Name[(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate
SMILESC=CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCCC/C=C\C[Si](C)(C)C
InChIInChI=1S/C33H41NO3Si/c1-5-31(34-32(35)36-25-17-6-7-18-26-38(2,3)4)27-37-33(28-19-11-8-12-20-28,29-21-13-9-14-22-29)30-23-15-10-16-24-30/h5,7-16,18-24,31H,1,6,17,25-27H2,2-4H3,(H,34,35)/b18-7-
InChIKeyWHJOGNTZLDMTNI-WSVATBPTSA-N
XLogP7.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.78
LogP ≤ 57.95
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-phenylmethoxyhexadecan-2-yl)carbamate
CID 44373569
pent-4-enyl N-(1-trityloxybut-3-en-2-yl)carbamate
CID 10972236
tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-1-trityloxybutan-2-yl]carbamate
CID 71817268
(R)-5,5-Diphenyl-4-benzyl-2-oxazolidinone
CID 4527113
(R)-3-Benzyloxy-2-(tert-butoxycarbonylamino)-propane
CID 11254115
tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate
CID 58420082
tert-butyl N-(1-oxo-3-trityloxypropan-2-yl)carbamate
CID 58675520
tert.-Butyl-[(2S)-1-(benzyloxy)-3-phenylpropan-2-yl]carbamate
CID 66837219
tert-butyl N-[(2S)-1-phenylmethoxybut-3-en-2-yl]carbamate
CID 101799929
tert-butyl N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylhex-5-en-2-yl]carbamate
CID 19420344
tert-butyl N-[(2S)-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]carbamate
CID 88456451
methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate
CID 10368366

Frequently Asked Questions

What is the IUPAC name of [(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate?
The IUPAC name of [(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate (CID 134901002) is [(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate.
What is the SMILES notation for [(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate?
The canonical SMILES for [(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate is C=CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCCC/C=C\C[Si](C)(C)C.
What is the InChIKey of [(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate?
The InChIKey is WHJOGNTZLDMTNI-WSVATBPTSA-N. The full InChI is InChI=1S/C33H41NO3Si/c1-5-31(34-32(35)36-25-17-6-7-18-26-38(2,3)4)27-37-33(28-19-11-8-12-20-28,29-21-13-9-14-22-29)30-23-15-10-16-24-30/h5,7-16,18-24,31H,1,6,17,25-27H2,2-4H3,(H,34,35)/b18-7-.
What are the key properties of [(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate?
[(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate has a molecular weight of 527.78 g/mol, XLogP of 7.95, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-trimethylsilylhex-4-enyl] N-(1-trityloxybut-3-en-2-yl)carbamate is sourced from PubChem (CID 134901002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).