methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate

C13H20O2 — CID 68724110

IUPACmethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate
SMILESCOC(=O)C1C(C)=CCCC12CCCC2
InChIInChI=1S/C13H20O2/c1-10-6-5-9-13(7-3-4-8-13)11(10)12(14)15-2/h6,11H,3-5,7-9H2,1-2H3
InChIKeyLYXASOLIPBAHML-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.08
Rot. Bonds1

About methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate

methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate (PubChem CID 68724110) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate.

Molecular Properties

Compound Namemethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate
PubChem CID68724110
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namemethyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate
SMILESCOC(=O)C1C(C)=CCCC12CCCC2
InChIInChI=1S/C13H20O2/c1-10-6-5-9-13(7-3-4-8-13)11(10)12(14)15-2/h6,11H,3-5,7-9H2,1-2H3
InChIKeyLYXASOLIPBAHML-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 9-methylspiro[4.5]dec-8-ene-10-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 methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The IUPAC name of methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate (CID 68724110) is methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate.
What is the SMILES notation for methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The canonical SMILES for methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate is COC(=O)C1C(C)=CCCC12CCCC2.
What is the InChIKey of methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate?
The InChIKey is LYXASOLIPBAHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10-6-5-9-13(7-3-4-8-13)11(10)12(14)15-2/h6,11H,3-5,7-9H2,1-2H3.
What are the key properties of methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate?
methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate has a molecular weight of 208.30 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methylspiro[4.5]dec-8-ene-10-carboxylate is sourced from PubChem (CID 68724110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).