methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate

C10H14O5 — CID 54688327

IUPACmethyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
SMILESCOC(=O)C1=C(O)CCC2(C1)OCCO2
InChIInChI=1S/C10H14O5/c1-13-9(12)7-6-10(3-2-8(7)11)14-4-5-15-10/h11H,2-6H2,1H3
InChIKeyLULCQLXQZZOMBX-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.90
Rot. Bonds1

About methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate

methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate (PubChem CID 54688327) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
PubChem CID54688327
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
SMILESCOC(=O)C1=C(O)CCC2(C1)OCCO2
InChIInChI=1S/C10H14O5/c1-13-9(12)7-6-10(3-2-8(7)11)14-4-5-15-10/h11H,2-6H2,1H3
InChIKeyLULCQLXQZZOMBX-UHFFFAOYSA-N
XLogP0.90
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The IUPAC name of methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate (CID 54688327) is methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate.
What is the SMILES notation for methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The canonical SMILES for methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate is COC(=O)C1=C(O)CCC2(C1)OCCO2.
What is the InChIKey of methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The InChIKey is LULCQLXQZZOMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-13-9(12)7-6-10(3-2-8(7)11)14-4-5-15-10/h11H,2-6H2,1H3.
What are the key properties of methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate is sourced from PubChem (CID 54688327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).