tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate

C18H33NO4Si — CID 11405579

IUPACtert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate
SMILESC=CCN(OCC#CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO4Si/c1-10-13-19(16(20)23-17(2,3)4)21-14-11-12-15-22-24(8,9)18(5,6)7/h10H,1,13-15H2,2-9H3
InChIKeyYHKJNKBXHQVWQT-UHFFFAOYSA-N
MW355.55 g/mol
LogP4.37
Rot. Bonds6

About tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate

tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate (PubChem CID 11405579) has the molecular formula C18H33NO4Si and a molecular weight of 355.55 g/mol. Its IUPAC name is tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate
PubChem CID11405579
Molecular FormulaC18H33NO4Si
Molecular Weight355.55 g/mol
Exact Mass355.22
IUPAC Nametert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate
SMILESC=CCN(OCC#CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO4Si/c1-10-13-19(16(20)23-17(2,3)4)21-14-11-12-15-22-24(8,9)18(5,6)7/h10H,1,13-15H2,2-9H3
InChIKeyYHKJNKBXHQVWQT-UHFFFAOYSA-N
XLogP4.37
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate
CID 11360689
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
CID 11380287
tert-butyl-dimethyl-prop-2-enoxysilane;trimethyl(prop-2-enoxy)silane
CID 87853444
tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate
CID 102530378
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane
CID 57266578
(3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol
CID 11472058
tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate
CID 46201500
tert-butyl 2-[bis(prop-2-enyl)amino]-2-trimethylsilylacetate
CID 23650776
tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
CID 51050847
tert-butyl N-(1-chlorobut-3-enyl)-N-prop-2-enylcarbamate
CID 156518979
tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
CID 142306508

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate (CID 11405579) is tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate is C=CCN(OCC#CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate?
The InChIKey is YHKJNKBXHQVWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4Si/c1-10-13-19(16(20)23-17(2,3)4)21-14-11-12-15-22-24(8,9)18(5,6)7/h10H,1,13-15H2,2-9H3.
What are the key properties of tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate?
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate has a molecular weight of 355.55 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate is sourced from PubChem (CID 11405579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).