[(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate

C9H12O6 — CID 11390289

IUPAC[(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1C=C[C@H](OC(=O)OC)C1
InChIInChI=1S/C9H12O6/c1-12-8(10)14-6-3-4-7(5-6)15-9(11)13-2/h3-4,6-7H,5H2,1-2H3/t6-,7+
InChIKeyHOHRALZECZKCDU-KNVOCYPGSA-N
MW216.19 g/mol
LogP1.25
Rot. Bonds2

About [(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate

[(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate (PubChem CID 11390289) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is [(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate
PubChem CID11390289
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name[(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1C=C[C@H](OC(=O)OC)C1
InChIInChI=1S/C9H12O6/c1-12-8(10)14-6-3-4-7(5-6)15-9(11)13-2/h3-4,6-7H,5H2,1-2H3/t6-,7+
InChIKeyHOHRALZECZKCDU-KNVOCYPGSA-N
XLogP1.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate?
The IUPAC name of [(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate (CID 11390289) is [(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate is COC(=O)O[C@@H]1C=C[C@H](OC(=O)OC)C1.
What is the InChIKey of [(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate?
The InChIKey is HOHRALZECZKCDU-KNVOCYPGSA-N. The full InChI is InChI=1S/C9H12O6/c1-12-8(10)14-6-3-4-7(5-6)15-9(11)13-2/h3-4,6-7H,5H2,1-2H3/t6-,7+.
What are the key properties of [(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate?
[(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate has a molecular weight of 216.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 11390289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).