ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate

C14H20O3 — CID 177384103

IUPACethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate
SMILESC=C1C(C(=O)OCC)=C(C)OC12CCCCC2
InChIInChI=1S/C14H20O3/c1-4-16-13(15)12-10(2)14(17-11(12)3)8-6-5-7-9-14/h2,4-9H2,1,3H3
InChIKeyLXZYORDKMYHDCZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.11
Rot. Bonds2

About ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate

ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate (PubChem CID 177384103) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate
PubChem CID177384103
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate
SMILESC=C1C(C(=O)OCC)=C(C)OC12CCCCC2
InChIInChI=1S/C14H20O3/c1-4-16-13(15)12-10(2)14(17-11(12)3)8-6-5-7-9-14/h2,4-9H2,1,3H3
InChIKeyLXZYORDKMYHDCZ-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate (CID 177384103) is ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate is C=C1C(C(=O)OCC)=C(C)OC12CCCCC2.
What is the InChIKey of ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate?
The InChIKey is LXZYORDKMYHDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-16-13(15)12-10(2)14(17-11(12)3)8-6-5-7-9-14/h2,4-9H2,1,3H3.
What are the key properties of ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate?
ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate is sourced from PubChem (CID 177384103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).