ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate

C14H20O3 — CID 135069632

IUPACethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC2(C=C1)CCCCC2
InChIInChI=1S/C14H20O3/c1-3-16-13(15)12-7-10-14(17-11(12)2)8-5-4-6-9-14/h7,10H,3-6,8-9H2,1-2H3
InChIKeyOHSKLNCZPOSKJF-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.11
Rot. Bonds2

About ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate

ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate (PubChem CID 135069632) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate
PubChem CID135069632
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC2(C=C1)CCCCC2
InChIInChI=1S/C14H20O3/c1-3-16-13(15)12-7-10-14(17-11(12)2)8-5-4-6-9-14/h7,10H,3-6,8-9H2,1-2H3
InChIKeyOHSKLNCZPOSKJF-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

Analyze ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate?
The IUPAC name of ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate (CID 135069632) is ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate is CCOC(=O)C1=C(C)OC2(C=C1)CCCCC2.
What is the InChIKey of ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate?
The InChIKey is OHSKLNCZPOSKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-16-13(15)12-7-10-14(17-11(12)2)8-5-4-6-9-14/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate?
ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-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-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate is sourced from PubChem (CID 135069632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).