tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate

C19H35NO4Si — CID 11360689

IUPACtert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate
SMILESC=CCCN(OCC#CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H35NO4Si/c1-10-11-14-20(17(21)24-18(2,3)4)22-15-12-13-16-23-25(8,9)19(5,6)7/h10H,1,11,14-16H2,2-9H3
InChIKeyCNTRHSDGCRENEK-UHFFFAOYSA-N
MW369.58 g/mol
LogP4.76
Rot. Bonds7

About tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate

tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate (PubChem CID 11360689) has the molecular formula C19H35NO4Si and a molecular weight of 369.58 g/mol. Its IUPAC name is tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate
PubChem CID11360689
Molecular FormulaC19H35NO4Si
Molecular Weight369.58 g/mol
Exact Mass369.23
IUPAC Nametert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate
SMILESC=CCCN(OCC#CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H35NO4Si/c1-10-11-14-20(17(21)24-18(2,3)4)22-15-12-13-16-23-25(8,9)19(5,6)7/h10H,1,11,14-16H2,2-9H3
InChIKeyCNTRHSDGCRENEK-UHFFFAOYSA-N
XLogP4.76
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 54.76
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate?
The IUPAC name of tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate (CID 11360689) is tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate.
What is the SMILES notation for tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate?
The canonical SMILES for tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate is C=CCCN(OCC#CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate?
The InChIKey is CNTRHSDGCRENEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4Si/c1-10-11-14-20(17(21)24-18(2,3)4)22-15-12-13-16-23-25(8,9)19(5,6)7/h10H,1,11,14-16H2,2-9H3.
What are the key properties of tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate?
tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate has a molecular weight of 369.58 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate is sourced from PubChem (CID 11360689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).