[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate

C15H30O4Si — CID 11120200

IUPAC[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-12(10-9-11-18-14(16)17-6)13(2)19-20(7,8)15(3,4)5/h9-10,12-13H,11H2,1-8H3/b10-9+/t12-,13-/m1/s1
InChIKeyDRXASLXFHXQPHE-WGVUZWOWSA-N
MW302.49 g/mol
LogP4.37
Rot. Bonds6

About [(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate

[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate (PubChem CID 11120200) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is [(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate
PubChem CID11120200
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-12(10-9-11-18-14(16)17-6)13(2)19-20(7,8)15(3,4)5/h9-10,12-13H,11H2,1-8H3/b10-9+/t12-,13-/m1/s1
InChIKeyDRXASLXFHXQPHE-WGVUZWOWSA-N
XLogP4.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate?
The IUPAC name of [(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate (CID 11120200) is [(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate.
What is the SMILES notation for [(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate?
The canonical SMILES for [(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate is COC(=O)OC/C=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate?
The InChIKey is DRXASLXFHXQPHE-WGVUZWOWSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-12(10-9-11-18-14(16)17-6)13(2)19-20(7,8)15(3,4)5/h9-10,12-13H,11H2,1-8H3/b10-9+/t12-,13-/m1/s1.
What are the key properties of [(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate?
[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate has a molecular weight of 302.49 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 [(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl] methyl carbonate is sourced from PubChem (CID 11120200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).