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

C7H10O4 — CID 18647346

IUPAC[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1C=C[C@H](O)C1
InChIInChI=1S/C7H10O4/c1-10-7(9)11-6-3-2-5(8)4-6/h2-3,5-6,8H,4H2,1H3/t5-,6+/m0/s1
InChIKeyHBEYYLVIXAPDMT-NTSWFWBYSA-N
MW158.15 g/mol
LogP0.46
Rot. Bonds1

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

[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate (PubChem CID 18647346) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is [(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
PubChem CID18647346
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
SMILESCOC(=O)O[C@@H]1C=C[C@H](O)C1
InChIInChI=1S/C7H10O4/c1-10-7(9)11-6-3-2-5(8)4-6/h2-3,5-6,8H,4H2,1H3/t5-,6+/m0/s1
InChIKeyHBEYYLVIXAPDMT-NTSWFWBYSA-N
XLogP0.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxycyclopent-2-en-1-yl] methyl carbonate?
The IUPAC name of [(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate (CID 18647346) is [(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate is COC(=O)O[C@@H]1C=C[C@H](O)C1.
What is the InChIKey of [(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate?
The InChIKey is HBEYYLVIXAPDMT-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H10O4/c1-10-7(9)11-6-3-2-5(8)4-6/h2-3,5-6,8H,4H2,1H3/t5-,6+/m0/s1.
What are the key properties of [(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate?
[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate has a molecular weight of 158.15 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 18647346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).