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

C14H24O5 — CID 118460742

IUPAC[(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(O)CCC(OC(C)(C)C)C1
InChIInChI=1S/C14H24O5/c1-14(2,3)19-12-8-6-10(15)5-7-11(9-12)18-13(16)17-4/h5,7,10-12,15H,6,8-9H2,1-4H3/b7-5-
InChIKeyMUOHKPPDGXMYKA-ALCCZGGFSA-N
MW272.34 g/mol
LogP2.42
Rot. Bonds2

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

[(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate (PubChem CID 118460742) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is [(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
PubChem CID118460742
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name[(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(O)CCC(OC(C)(C)C)C1
InChIInChI=1S/C14H24O5/c1-14(2,3)19-12-8-6-10(15)5-7-11(9-12)18-13(16)17-4/h5,7,10-12,15H,6,8-9H2,1-4H3/b7-5-
InChIKeyMUOHKPPDGXMYKA-ALCCZGGFSA-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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Related Compounds

[(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
CID 118460768
[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate
CID 90182652
[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
CID 18647346
[(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
CID 90184256
[(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
CID 121291255
tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate
CID 118458845
[(1R,4S)-4-hydroxycyclohex-2-en-1-yl] 2,2-dimethylpropanoate
CID 15263359
[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118547647
[(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate
CID 90183035
[(6E)-5-[(2-methylpropan-2-yl)oxy]-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-8-yl] propan-2-yl carbonate
CID 134387388
[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
CID 10514412
methyl (1R,5S)-5-methoxycarbonyloxycyclohex-3-ene-1-carboxylate
CID 134872441

Frequently Asked Questions

What is the IUPAC name of [(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate?
The IUPAC name of [(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate (CID 118460742) is [(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate is COC(=O)OC1/C=C\C(O)CCC(OC(C)(C)C)C1.
What is the InChIKey of [(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate?
The InChIKey is MUOHKPPDGXMYKA-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H24O5/c1-14(2,3)19-12-8-6-10(15)5-7-11(9-12)18-13(16)17-4/h5,7,10-12,15H,6,8-9H2,1-4H3/b7-5-.
What are the key properties of [(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate?
[(2E)-4-hydroxy-7-[(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)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 118460742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).