methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate

C9H12O4 — CID 11240853

IUPACmethyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate
SMILESCOC(=O)C1=CCCC12OCCO2
InChIInChI=1S/C9H12O4/c1-11-8(10)7-3-2-4-9(7)12-5-6-13-9/h3H,2,4-6H2,1H3
InChIKeyDYSDXSWOTMLMDX-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.62
Rot. Bonds1

About methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate

methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate (PubChem CID 11240853) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate
PubChem CID11240853
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Namemethyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate
SMILESCOC(=O)C1=CCCC12OCCO2
InChIInChI=1S/C9H12O4/c1-11-8(10)7-3-2-4-9(7)12-5-6-13-9/h3H,2,4-6H2,1H3
InChIKeyDYSDXSWOTMLMDX-UHFFFAOYSA-N
XLogP0.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Zrbiijnqslhraq-uhfffaoysa-
CID 11138069
1-(5-oxo-2H-furan-4-yl)butyl acetate
CID 13902462
Ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate
CID 11790518
dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate
CID 66509186
Dimethyl 2,2-dimethoxy-7-oxo-1,6-dioxaspiro[4.4]non-3-ene-3,4-dicarboxylate
CID 73069438
2-[2-[(E)-5-ethoxy-4-methyl-5-oxopent-3-enyl]-1,3-dioxolan-2-yl]acetic acid
CID 135010803
2-[2-[(E)-5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]-1,3-dioxolan-2-yl]acetic acid
CID 135038753
methyl (3aS,7aR)-2,2,7-trimethyl-3a,7a-dihydro-1,3-benzodioxole-4-carboxylate
CID 162415989
Methyl 8-oxo-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 11287305
ethyl (5S)-5-acetyloxycyclopentene-1-carboxylate
CID 10910481
ethyl 5(R)-acetoxy-1-cyclopentenecarboxylate
CID 11745606
Methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 12854654

Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate?
The IUPAC name of methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate (CID 11240853) is methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate.
What is the SMILES notation for methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate?
The canonical SMILES for methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate is COC(=O)C1=CCCC12OCCO2.
What is the InChIKey of methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate?
The InChIKey is DYSDXSWOTMLMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-11-8(10)7-3-2-4-9(7)12-5-6-13-9/h3H,2,4-6H2,1H3.
What are the key properties of methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate?
methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dioxaspiro[4.4]non-8-ene-9-carboxylate is sourced from PubChem (CID 11240853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).