ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate

C15H26O2 — CID 67102506

IUPACethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1CC12CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C15H26O2/c1-6-17-12(16)11-7-15(11)9-13(2,3)8-14(4,5)10-15/h11H,6-10H2,1-5H3
InChIKeyOIAAMCFJRYHSTG-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.79
Rot. Bonds2

About ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate

ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate (PubChem CID 67102506) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
PubChem CID67102506
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate
SMILESCCOC(=O)C1CC12CC(C)(C)CC(C)(C)C2
InChIInChI=1S/C15H26O2/c1-6-17-12(16)11-7-15(11)9-13(2,3)8-14(4,5)10-15/h11H,6-10H2,1-5H3
InChIKeyOIAAMCFJRYHSTG-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate
CID 130668492
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
ethyl 6-ethyl-6-azaspiro[2.5]octane-2-carboxylate
CID 144539360
ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate
CID 105360360
ethyl 6-(oxiran-2-yl)spiro[2.5]octane-2-carboxylate
CID 166452993
ethyl (1S)-2,2-dicarbonochloridoylcyclopropane-1-carboxylate
CID 129386310
ethyl 4-hydrazinyl-2,2-dimethylcyclohexane-1-carboxylate
CID 118383562
ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
CID 21494881
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
ethyl 2-chloro-2-formylcyclopropane-1-carboxylate
CID 130035467

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate?
The IUPAC name of ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate (CID 67102506) is ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate?
The canonical SMILES for ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate is CCOC(=O)C1CC12CC(C)(C)CC(C)(C)C2.
What is the InChIKey of ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate?
The InChIKey is OIAAMCFJRYHSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-17-12(16)11-7-15(11)9-13(2,3)8-14(4,5)10-15/h11H,6-10H2,1-5H3.
What are the key properties of ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate?
ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate has a molecular weight of 238.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5,7,7-tetramethylspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 67102506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).