tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate

C22H37NO2Si — CID 57382243

IUPACtri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate
SMILESC=CCCCN(Cc1ccccc1)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H37NO2Si/c1-8-9-13-16-23(17-21-14-11-10-12-15-21)22(24)25-26(18(2)3,19(4)5)20(6)7/h8,10-12,14-15,18-20H,1,9,13,16-17H2,2-7H3
InChIKeyYSTSTRPGKUJTGE-UHFFFAOYSA-N
MW375.63 g/mol
LogP6.77
Rot. Bonds10

About tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate

tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate (PubChem CID 57382243) has the molecular formula C22H37NO2Si and a molecular weight of 375.63 g/mol. Its IUPAC name is tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate
PubChem CID57382243
Molecular FormulaC22H37NO2Si
Molecular Weight375.63 g/mol
Exact Mass375.26
IUPAC Nametri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate
SMILESC=CCCCN(Cc1ccccc1)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H37NO2Si/c1-8-9-13-16-23(17-21-14-11-10-12-15-21)22(24)25-26(18(2)3,19(4)5)20(6)7/h8,10-12,14-15,18-20H,1,9,13,16-17H2,2-7H3
InChIKeyYSTSTRPGKUJTGE-UHFFFAOYSA-N
XLogP6.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.63
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate
CID 57381809
tert-butyl N-benzyl-N-pent-4-enylcarbamate
CID 15840242
tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate
CID 57382703
N-benzyl-N-but-3-enylbut-2-enamide
CID 72969780
tert-butyl N-[(2R)-1-[benzyl(pent-4-enyl)amino]-1-oxopent-4-en-2-yl]carbamate
CID 102454959
[benzyl(pent-4-enyl)amino] 2,2-dimethylpropanoate
CID 163239330
[(2S)-3-methyl-1-oxo-1-[pent-4-enyl(pyridin-3-ylmethyl)amino]butan-2-yl]carbamic acid
CID 70247516
3-[2-[benzyl(methyl)amino]propyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109498256
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-methoxy-N-pent-4-enylbenzamide
CID 91362036
N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide
CID 10949354

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate?
The IUPAC name of tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate (CID 57382243) is tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate.
What is the SMILES notation for tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate?
The canonical SMILES for tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate is C=CCCCN(Cc1ccccc1)C(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate?
The InChIKey is YSTSTRPGKUJTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2Si/c1-8-9-13-16-23(17-21-14-11-10-12-15-21)22(24)25-26(18(2)3,19(4)5)20(6)7/h8,10-12,14-15,18-20H,1,9,13,16-17H2,2-7H3.
What are the key properties of tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate?
tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate has a molecular weight of 375.63 g/mol, XLogP of 6.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate is sourced from PubChem (CID 57382243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).