[(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate

C14H24O5 — CID 118460743

IUPAC[(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(OC(C)(C)C)CCC(O)C1
InChIInChI=1S/C14H24O5/c1-14(2,3)19-11-6-5-10(15)9-12(8-7-11)18-13(16)17-4/h7-8,10-12,15H,5-6,9H2,1-4H3/b8-7-
InChIKeyOQEOQDWYYCONDX-FPLPWBNLSA-N
MW272.34 g/mol
LogP2.42
Rot. Bonds2

About [(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate

[(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate (PubChem CID 118460743) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is [(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
PubChem CID118460743
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name[(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(OC(C)(C)C)CCC(O)C1
InChIInChI=1S/C14H24O5/c1-14(2,3)19-11-6-5-10(15)9-12(8-7-11)18-13(16)17-4/h7-8,10-12,15H,5-6,9H2,1-4H3/b8-7-
InChIKeyOQEOQDWYYCONDX-FPLPWBNLSA-N
XLogP2.42
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
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)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate?
The IUPAC name of [(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate (CID 118460743) is [(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate is COC(=O)OC1/C=C\C(OC(C)(C)C)CCC(O)C1.
What is the InChIKey of [(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate?
The InChIKey is OQEOQDWYYCONDX-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H24O5/c1-14(2,3)19-11-6-5-10(15)9-12(8-7-11)18-13(16)17-4/h7-8,10-12,15H,5-6,9H2,1-4H3/b8-7-.
What are the key properties of [(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate?
[(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate has a molecular weight of 272.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-7-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 118460743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).