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

C11H16O4 — CID 70907417

IUPACmethyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
SMILESCOC(=O)C1=C(C)CCC2(C1)OCCO2
InChIInChI=1S/C11H16O4/c1-8-3-4-11(14-5-6-15-11)7-9(8)10(12)13-2/h3-7H2,1-2H3
InChIKeyDXYSBGLKCYQWKW-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.40
Rot. Bonds1

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

methyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate (PubChem CID 70907417) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is methyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
PubChem CID70907417
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namemethyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
SMILESCOC(=O)C1=C(C)CCC2(C1)OCCO2
InChIInChI=1S/C11H16O4/c1-8-3-4-11(14-5-6-15-11)7-9(8)10(12)13-2/h3-7H2,1-2H3
InChIKeyDXYSBGLKCYQWKW-UHFFFAOYSA-N
XLogP1.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The IUPAC name of methyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate (CID 70907417) is methyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate.
What is the SMILES notation for methyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The canonical SMILES for methyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate is COC(=O)C1=C(C)CCC2(C1)OCCO2.
What is the InChIKey of methyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The InChIKey is DXYSBGLKCYQWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-8-3-4-11(14-5-6-15-11)7-9(8)10(12)13-2/h3-7H2,1-2H3.
What are the key properties of methyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
methyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate is sourced from PubChem (CID 70907417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).