ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate

C11H16O4 — CID 141171955

IUPACethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate
SMILESCCOC(=O)C1=CCC2(CCOO2)CC1
InChIInChI=1S/C11H16O4/c1-2-13-10(12)9-3-5-11(6-4-9)7-8-14-15-11/h3H,2,4-8H2,1H3
InChIKeyACIDTFOLSKSNCM-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.75
Rot. Bonds2

About ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate

ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate (PubChem CID 141171955) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate
PubChem CID141171955
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate
SMILESCCOC(=O)C1=CCC2(CCOO2)CC1
InChIInChI=1S/C11H16O4/c1-2-13-10(12)9-3-5-11(6-4-9)7-8-14-15-11/h3H,2,4-8H2,1H3
InChIKeyACIDTFOLSKSNCM-UHFFFAOYSA-N
XLogP1.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-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

ethyl 4-methyl-4-pentylcyclohexene-1-carboxylate
CID 70882301
ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
CID 102299212
[(1S)-3-ethoxycarbonyl-1-methoxycarbonylcyclopent-3-en-1-yl]azanium chloride
CID 102213166
tetraethyl 3,9-diazatricyclo[6.4.0.02,7]dodeca-4,10-diene-1,5,7,11-tetracarboxylate
CID 101479592
ethyl 5-oxocyclohexene-1-carboxylate
CID 101467436
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931
ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 566021
ethyl 8-sulfanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 87302879
ethyl 4,4-diisocyano-5-phenylcyclohexene-1-carboxylate
CID 135007400
ethyl 3,3-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 141171892
diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate
CID 101382043

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate?
The IUPAC name of ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate (CID 141171955) is ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate.
What is the SMILES notation for ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate?
The canonical SMILES for ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate is CCOC(=O)C1=CCC2(CCOO2)CC1.
What is the InChIKey of ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate?
The InChIKey is ACIDTFOLSKSNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-13-10(12)9-3-5-11(6-4-9)7-8-14-15-11/h3H,2,4-8H2,1H3.
What are the key properties of ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate?
ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dioxaspiro[4.5]dec-7-ene-8-carboxylate is sourced from PubChem (CID 141171955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).