methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate

C10H14O3 — CID 138040836

IUPACmethyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate
SMILESCOC(=O)C1=CCC2(CCC2)OC1
InChIInChI=1S/C10H14O3/c1-12-9(11)8-3-6-10(13-7-8)4-2-5-10/h3H,2,4-7H2,1H3
InChIKeyZPWPXVAXTIQKGG-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds1

About methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate

methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate (PubChem CID 138040836) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate
PubChem CID138040836
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namemethyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate
SMILESCOC(=O)C1=CCC2(CCC2)OC1
InChIInChI=1S/C10H14O3/c1-12-9(11)8-3-6-10(13-7-8)4-2-5-10/h3H,2,4-7H2,1H3
InChIKeyZPWPXVAXTIQKGG-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate?
The IUPAC name of methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate (CID 138040836) is methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate.
What is the SMILES notation for methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate?
The canonical SMILES for methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate is COC(=O)C1=CCC2(CCC2)OC1.
What is the InChIKey of methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate?
The InChIKey is ZPWPXVAXTIQKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-12-9(11)8-3-6-10(13-7-8)4-2-5-10/h3H,2,4-7H2,1H3.
What are the key properties of methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate?
methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxaspiro[3.5]non-7-ene-7-carboxylate is sourced from PubChem (CID 138040836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).