benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate

C24H39NO3Si — CID 45102918

IUPACbenzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
SMILESC=CC[C@@H](CCCO[Si](C)(C)C(C)(C)C)N(CC=C)C(=O)OCc1ccccc1
InChIInChI=1S/C24H39NO3Si/c1-8-14-22(17-13-19-28-29(6,7)24(3,4)5)25(18-9-2)23(26)27-20-21-15-11-10-12-16-21/h8-12,15-16,22H,1-2,13-14,17-20H2,3-7H3/t22-/m0/s1
InChIKeyJNGOFVINLPQDTC-QFIPXVFZSA-N
MW417.67 g/mol
LogP6.56
Rot. Bonds12

About benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate

benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate (PubChem CID 45102918) has the molecular formula C24H39NO3Si and a molecular weight of 417.67 g/mol. Its IUPAC name is benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
PubChem CID45102918
Molecular FormulaC24H39NO3Si
Molecular Weight417.67 g/mol
Exact Mass417.27
IUPAC Namebenzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
SMILESC=CC[C@@H](CCCO[Si](C)(C)C(C)(C)C)N(CC=C)C(=O)OCc1ccccc1
InChIInChI=1S/C24H39NO3Si/c1-8-14-22(17-13-19-28-29(6,7)24(3,4)5)25(18-9-2)23(26)27-20-21-15-11-10-12-16-21/h8-12,15-16,22H,1-2,13-14,17-20H2,3-7H3/t22-/m0/s1
InChIKeyJNGOFVINLPQDTC-QFIPXVFZSA-N
XLogP6.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.67
LogP ≤ 56.56
H-Bond Donors ≤ 50
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'}

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Related Compounds

benzyl N-[(4R)-7-phenylmethoxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 11025634
benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate
CID 154638930
2-[phenylmethoxycarbonyl(prop-2-enyl)amino]pent-4-enoic acid
CID 70560265
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol
CID 15420140
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
CID 175899923
benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate
CID 174054099
phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate
CID 10971723
benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate
CID 118230381
benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate
CID 156621112
1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate
CID 168819463
benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate
CID 134877613
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate?
The IUPAC name of benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate (CID 45102918) is benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate is C=CC[C@@H](CCCO[Si](C)(C)C(C)(C)C)N(CC=C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate?
The InChIKey is JNGOFVINLPQDTC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H39NO3Si/c1-8-14-22(17-13-19-28-29(6,7)24(3,4)5)25(18-9-2)23(26)27-20-21-15-11-10-12-16-21/h8-12,15-16,22H,1-2,13-14,17-20H2,3-7H3/t22-/m0/s1.
What are the key properties of benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate?
benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate has a molecular weight of 417.67 g/mol, XLogP of 6.56, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 45102918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).