[(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate

C12H18O6 — CID 102297919

IUPAC[(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate
SMILESCCOC(=O)OC[C@@H]1CC=C[C@@H]1OC(=O)OCC
InChIInChI=1S/C12H18O6/c1-3-15-11(13)17-8-9-6-5-7-10(9)18-12(14)16-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3/t9-,10-/m0/s1
InChIKeyCWTKWHOQEWCONA-UWVGGRQHSA-N
MW258.27 g/mol
LogP2.28
Rot. Bonds5

About [(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate

[(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate (PubChem CID 102297919) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is [(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate.

Molecular Properties

Compound Name[(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate
PubChem CID102297919
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name[(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate
SMILESCCOC(=O)OC[C@@H]1CC=C[C@@H]1OC(=O)OCC
InChIInChI=1S/C12H18O6/c1-3-15-11(13)17-8-9-6-5-7-10(9)18-12(14)16-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3/t9-,10-/m0/s1
InChIKeyCWTKWHOQEWCONA-UWVGGRQHSA-N
XLogP2.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.28
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,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate?
The IUPAC name of [(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate (CID 102297919) is [(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate.
What is the SMILES notation for [(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate?
The canonical SMILES for [(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate is CCOC(=O)OC[C@@H]1CC=C[C@@H]1OC(=O)OCC.
What is the InChIKey of [(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate?
The InChIKey is CWTKWHOQEWCONA-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18O6/c1-3-15-11(13)17-8-9-6-5-7-10(9)18-12(14)16-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate?
[(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate has a molecular weight of 258.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-ethoxycarbonyloxycyclopent-3-en-1-yl]methyl ethyl carbonate is sourced from PubChem (CID 102297919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).