methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate

C9H10O4 — CID 134833011

IUPACmethyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate
SMILESCOC(=O)C1=CC(=O)OC12CCC2
InChIInChI=1S/C9H10O4/c1-12-8(11)6-5-7(10)13-9(6)3-2-4-9/h5H,2-4H2,1H3
InChIKeyZPDPVTBCZBLGSN-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.57
Rot. Bonds1

About methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate

methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate (PubChem CID 134833011) has the molecular formula C9H10O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate
PubChem CID134833011
Molecular FormulaC9H10O4
Molecular Weight182.18 g/mol
Exact Mass182.06
IUPAC Namemethyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate
SMILESCOC(=O)C1=CC(=O)OC12CCC2
InChIInChI=1S/C9H10O4/c1-12-8(11)6-5-7(10)13-9(6)3-2-4-9/h5H,2-4H2,1H3
InChIKeyZPDPVTBCZBLGSN-UHFFFAOYSA-N
XLogP0.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zrbiijnqslhraq-uhfffaoysa-
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Methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
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dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate
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Methyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate
CID 71427742
Ethyl 5-hydroxy-5-methylcyclopentene-1-carboxylate
CID 85636826
Methyl 2-methyl-2-(2-methylpropyl)-5-oxofuran-3-carboxylate
CID 101497104
methyl (2Z)-2-(2-ethyl-2-methyl-4-oxooxetan-3-ylidene)acetate
CID 10631335
ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate
CID 10910481
ethyl 5(R)-acetoxy-1-cyclopentenecarboxylate
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[1-(2,5-Dioxofuran-3-yl)-3-methylbutyl] acetate
CID 10751696

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate?
The IUPAC name of methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate (CID 134833011) is methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate.
What is the SMILES notation for methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate?
The canonical SMILES for methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate is COC(=O)C1=CC(=O)OC12CCC2.
What is the InChIKey of methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate?
The InChIKey is ZPDPVTBCZBLGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-12-8(11)6-5-7(10)13-9(6)3-2-4-9/h5H,2-4H2,1H3.
What are the key properties of methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate?
methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-5-oxaspiro[3.4]oct-7-ene-8-carboxylate is sourced from PubChem (CID 134833011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).