[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate

C11H16O6 — CID 10514412

IUPAC[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
SMILESCCOC(=O)O[C@@H]1C=C[C@H](OC(=O)OCC)C1
InChIInChI=1S/C11H16O6/c1-3-14-10(12)16-8-5-6-9(7-8)17-11(13)15-4-2/h5-6,8-9H,3-4,7H2,1-2H3/t8-,9+
InChIKeyNVQQGJWHISSGKR-DTORHVGOSA-N
MW244.24 g/mol
LogP2.03
Rot. Bonds4

About [(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate

[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate (PubChem CID 10514412) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is [(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate.

Molecular Properties

Compound Name[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
PubChem CID10514412
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
SMILESCCOC(=O)O[C@@H]1C=C[C@H](OC(=O)OCC)C1
InChIInChI=1S/C11H16O6/c1-3-14-10(12)16-8-5-6-9(7-8)17-11(13)15-4-2/h5-6,8-9H,3-4,7H2,1-2H3/t8-,9+
InChIKeyNVQQGJWHISSGKR-DTORHVGOSA-N
XLogP2.03
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.03
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 [(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate?
The IUPAC name of [(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate (CID 10514412) is [(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate.
What is the SMILES notation for [(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate?
The canonical SMILES for [(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate is CCOC(=O)O[C@@H]1C=C[C@H](OC(=O)OCC)C1.
What is the InChIKey of [(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate?
The InChIKey is NVQQGJWHISSGKR-DTORHVGOSA-N. The full InChI is InChI=1S/C11H16O6/c1-3-14-10(12)16-8-5-6-9(7-8)17-11(13)15-4-2/h5-6,8-9H,3-4,7H2,1-2H3/t8-,9+.
What are the key properties of [(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate?
[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate has a molecular weight of 244.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate is sourced from PubChem (CID 10514412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).