prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate

C16H39NO5Si4 — CID 22412624

IUPACprop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate
SMILESC=CCOC(=O)N(CCC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H39NO5Si4/c1-12-14-17(16(18)19-15-13-2)26(20-23(3,4)5,21-24(6,7)8)22-25(9,10)11/h13H,2,12,14-15H2,1,3-11H3
InChIKeyFLFCXCFZHMBCEF-UHFFFAOYSA-N
MW437.83 g/mol
LogP5.01
Rot. Bonds11

About prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate

prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate (PubChem CID 22412624) has the molecular formula C16H39NO5Si4 and a molecular weight of 437.83 g/mol. Its IUPAC name is prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate
PubChem CID22412624
Molecular FormulaC16H39NO5Si4
Molecular Weight437.83 g/mol
Exact Mass437.19
IUPAC Nameprop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate
SMILESC=CCOC(=O)N(CCC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H39NO5Si4/c1-12-14-17(16(18)19-15-13-2)26(20-23(3,4)5,21-24(6,7)8)22-25(9,10)11/h13H,2,12,14-15H2,1,3-11H3
InChIKeyFLFCXCFZHMBCEF-UHFFFAOYSA-N
XLogP5.01
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.83
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl N-propyl-N-triethoxysilylcarbamate
CID 54468213
ethane;prop-2-enyl N-ethyl-N-methylcarbamate
CID 142891984
(E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid
CID 88513136
prop-2-enyl N-methyl-N-(oxiran-2-ylmethyl)carbamate
CID 59768322
iron;prop-2-enyl N,N-bis(sulfanyl)carbamate
CID 87288667
prop-2-enyl N,N-bis(hydroxymethyl)carbamate
CID 54415471
prop-2-enyl 2-methylidenebutanoate
CID 12684713
1-propyl-1-trimethoxysilylurea
CID 87287857
tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
CID 91717715
pentyl N,N-bis(prop-2-enyl)carbamate
CID 88848482
1-O-decyl 4-O-prop-2-enyl (E)-but-2-enedioate
CID 91698054
prop-2-enyl 2-tributylstannylacetate
CID 13096282

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate?
The IUPAC name of prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate (CID 22412624) is prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate.
What is the SMILES notation for prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate?
The canonical SMILES for prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate is C=CCOC(=O)N(CCC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate?
The InChIKey is FLFCXCFZHMBCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H39NO5Si4/c1-12-14-17(16(18)19-15-13-2)26(20-23(3,4)5,21-24(6,7)8)22-25(9,10)11/h13H,2,12,14-15H2,1,3-11H3.
What are the key properties of prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate?
prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate has a molecular weight of 437.83 g/mol, XLogP of 5.01, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate is sourced from PubChem (CID 22412624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).