[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate

C10H16O5 — CID 90182652

IUPAC[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(O)CCC(O)C1
InChIInChI=1S/C10H16O5/c1-14-10(13)15-9-5-4-7(11)2-3-8(12)6-9/h4-5,7-9,11-12H,2-3,6H2,1H3/b5-4-
InChIKeyICZANGBUQOTWDM-PLNGDYQASA-N
MW216.23 g/mol
LogP0.60
Rot. Bonds1

About [(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate

[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate (PubChem CID 90182652) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is [(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate
PubChem CID90182652
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(O)CCC(O)C1
InChIInChI=1S/C10H16O5/c1-14-10(13)15-9-5-4-7(11)2-3-8(12)6-9/h4-5,7-9,11-12H,2-3,6H2,1H3/b5-4-
InChIKeyICZANGBUQOTWDM-PLNGDYQASA-N
XLogP0.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate?
The IUPAC name of [(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate (CID 90182652) is [(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate is COC(=O)OC1/C=C\C(O)CCC(O)C1.
What is the InChIKey of [(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate?
The InChIKey is ICZANGBUQOTWDM-PLNGDYQASA-N. The full InChI is InChI=1S/C10H16O5/c1-14-10(13)15-9-5-4-7(11)2-3-8(12)6-9/h4-5,7-9,11-12H,2-3,6H2,1H3/b5-4-.
What are the key properties of [(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate?
[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate has a molecular weight of 216.23 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 90182652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).