tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate

C15H24O6 — CID 11623585

IUPACtert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate
SMILESCC(C)(C)OC(=O)O[C@@H]1C=C[C@H](OC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H24O6/c1-14(2,3)20-12(16)18-10-7-8-11(9-10)19-13(17)21-15(4,5)6/h7-8,10-11H,9H2,1-6H3/t10-,11+
InChIKeyMZXIMBYDVCRZQQ-PHIMTYICSA-N
MW300.35 g/mol
LogP3.59
Rot. Bonds2

About tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate

tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate (PubChem CID 11623585) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate
PubChem CID11623585
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Nametert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate
SMILESCC(C)(C)OC(=O)O[C@@H]1C=C[C@H](OC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H24O6/c1-14(2,3)20-12(16)18-10-7-8-11(9-10)19-13(17)21-15(4,5)6/h7-8,10-11H,9H2,1-6H3/t10-,11+
InChIKeyMZXIMBYDVCRZQQ-PHIMTYICSA-N
XLogP3.59
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate?
The IUPAC name of tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate (CID 11623585) is tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate.
What is the SMILES notation for tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate?
The canonical SMILES for tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate is CC(C)(C)OC(=O)O[C@@H]1C=C[C@H](OC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate?
The InChIKey is MZXIMBYDVCRZQQ-PHIMTYICSA-N. The full InChI is InChI=1S/C15H24O6/c1-14(2,3)20-12(16)18-10-7-8-11(9-10)19-13(17)21-15(4,5)6/h7-8,10-11H,9H2,1-6H3/t10-,11+.
What are the key properties of tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate?
tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate has a molecular weight of 300.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclopent-2-en-1-yl] carbonate is sourced from PubChem (CID 11623585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).