ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate

C9H14O3 — CID 15207484

IUPACethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate
SMILESCCOC(=O)C1(CC)OC12CC2
InChIInChI=1S/C9H14O3/c1-3-9(7(10)11-4-2)8(12-9)5-6-8/h3-6H2,1-2H3
InChIKeyVMGGZFNIOCXLLP-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.26
Rot. Bonds3

About ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate

ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate (PubChem CID 15207484) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate
PubChem CID15207484
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate
SMILESCCOC(=O)C1(CC)OC12CC2
InChIInChI=1S/C9H14O3/c1-3-9(7(10)11-4-2)8(12-9)5-6-8/h3-6H2,1-2H3
InChIKeyVMGGZFNIOCXLLP-UHFFFAOYSA-N
XLogP1.26
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-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 2-ethyl-1-oxaspiro[2.7]decane-2-carboxylate
CID 79299007
ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate
CID 79298034
ethyl 2-ethyl-3,3-dipropyloxirane-2-carboxylate
CID 79298033
methyl 2-ethyl-1-oxa-6-thiaspiro[2.5]octane-2-carboxylate
CID 165447920
ethyl 6,6-dioxo-2-propyl-1-oxa-6λ6-thiaspiro[2.4]heptane-2-carboxylate
CID 83046824
ethyl 2,4-diethyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79298264
ethyl 2-ethyl-4,5-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79298799
diethyl 2-[(2-ethoxycarbonyl-3,3-dimethyloxiran-2-yl)methyl]propanedioate
CID 10710500
ethyl 2,3-diethyl-3-(2-methylbutyl)oxirane-2-carboxylate
CID 79299561
ethyl 1-ethenylcyclopropane-1-carboxylate
CID 15179001
ethyl 4-methoxybicyclo[2.2.2]octane-1-carboxylate
CID 59379789
ethyl 4,4-dimethyl-2-propyl-1-oxaspiro[2.4]heptane-2-carboxylate
CID 83047841

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate?
The IUPAC name of ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate (CID 15207484) is ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate?
The canonical SMILES for ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate is CCOC(=O)C1(CC)OC12CC2.
What is the InChIKey of ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate?
The InChIKey is VMGGZFNIOCXLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-9(7(10)11-4-2)8(12-9)5-6-8/h3-6H2,1-2H3.
What are the key properties of ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate?
ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-1-oxaspiro[2.2]pentane-2-carboxylate is sourced from PubChem (CID 15207484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).