tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate

C17H32O4Si — CID 53231198

IUPACtert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate
SMILESC=C[C@@H](OC(=O)OC(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-11-13(19-15(18)20-16(3,4)5)14(12-2)21-22(9,10)17(6,7)8/h11-14H,1-2H2,3-10H3/t13-,14-/m1/s1
InChIKeyXJMOWIZRMVBLMR-ZIAGYGMSSA-N
MW328.53 g/mol
LogP5.07
Rot. Bonds6

About tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate

tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate (PubChem CID 53231198) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate
PubChem CID53231198
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Nametert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate
SMILESC=C[C@@H](OC(=O)OC(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-11-13(19-15(18)20-16(3,4)5)14(12-2)21-22(9,10)17(6,7)8/h11-14H,1-2H2,3-10H3/t13-,14-/m1/s1
InChIKeyXJMOWIZRMVBLMR-ZIAGYGMSSA-N
XLogP5.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 55.07
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 [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate?
The IUPAC name of tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate (CID 53231198) is tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate.
What is the SMILES notation for tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate?
The canonical SMILES for tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate is C=C[C@@H](OC(=O)OC(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate?
The InChIKey is XJMOWIZRMVBLMR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-11-13(19-15(18)20-16(3,4)5)14(12-2)21-22(9,10)17(6,7)8/h11-14H,1-2H2,3-10H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate?
tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate has a molecular weight of 328.53 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate is sourced from PubChem (CID 53231198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).