tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate

C15H26O4 — CID 11288703

IUPACtert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate
SMILESCC(C)=CCC[C@@]1(C)O[C@@H]1COC(=O)OC(C)(C)C
InChIInChI=1S/C15H26O4/c1-11(2)8-7-9-15(6)12(18-15)10-17-13(16)19-14(3,4)5/h8,12H,7,9-10H2,1-6H3/t12-,15-/m1/s1
InChIKeyJKDULYLQWWUFCO-IUODEOHRSA-N
MW270.37 g/mol
LogP3.84
Rot. Bonds5

About tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate

tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate (PubChem CID 11288703) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate.

Molecular Properties

Compound Nametert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate
PubChem CID11288703
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Nametert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate
SMILESCC(C)=CCC[C@@]1(C)O[C@@H]1COC(=O)OC(C)(C)C
InChIInChI=1S/C15H26O4/c1-11(2)8-7-9-15(6)12(18-15)10-17-13(16)19-14(3,4)5/h8,12H,7,9-10H2,1-6H3/t12-,15-/m1/s1
InChIKeyJKDULYLQWWUFCO-IUODEOHRSA-N
XLogP3.84
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate?
The IUPAC name of tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate (CID 11288703) is tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate.
What is the SMILES notation for tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate?
The canonical SMILES for tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate is CC(C)=CCC[C@@]1(C)O[C@@H]1COC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate?
The InChIKey is JKDULYLQWWUFCO-IUODEOHRSA-N. The full InChI is InChI=1S/C15H26O4/c1-11(2)8-7-9-15(6)12(18-15)10-17-13(16)19-14(3,4)5/h8,12H,7,9-10H2,1-6H3/t12-,15-/m1/s1.
What are the key properties of tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate?
tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate has a molecular weight of 270.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl carbonate is sourced from PubChem (CID 11288703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).