tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate

C15H30O4Si — CID 59981762

IUPACtert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
SMILESCC(C)(C)OC(=O)OC/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-14(2,3)19-13(16)17-11-9-10-12-18-20(7,8)15(4,5)6/h9-10H,11-12H2,1-8H3/b10-9-
InChIKeyWJOJKBPZONYHOU-KTKRTIGZSA-N
MW302.49 g/mol
LogP4.52
Rot. Bonds5

About tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate

tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate (PubChem CID 59981762) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate.

Molecular Properties

Compound Nametert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
PubChem CID59981762
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Nametert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
SMILESCC(C)(C)OC(=O)OC/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-14(2,3)19-13(16)17-11-9-10-12-18-20(7,8)15(4,5)6/h9-10H,11-12H2,1-8H3/b10-9-
InChIKeyWJOJKBPZONYHOU-KTKRTIGZSA-N
XLogP4.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.52
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate?
The IUPAC name of tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate (CID 59981762) is tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate.
What is the SMILES notation for tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate?
The canonical SMILES for tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate is CC(C)(C)OC(=O)OC/C=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate?
The InChIKey is WJOJKBPZONYHOU-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-14(2,3)19-13(16)17-11-9-10-12-18-20(7,8)15(4,5)6/h9-10H,11-12H2,1-8H3/b10-9-.
What are the key properties of tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate?
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate has a molecular weight of 302.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate is sourced from PubChem (CID 59981762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).