ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate

C11H18O4 — CID 171935283

IUPACethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
SMILESCCOC(=O)C1(C)CCC2(C1)OCCO2
InChIInChI=1S/C11H18O4/c1-3-13-9(12)10(2)4-5-11(8-10)14-6-7-15-11/h3-8H2,1-2H3
InChIKeyJMZSQSATLPHJTI-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.48
Rot. Bonds2

About ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate

ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate (PubChem CID 171935283) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
PubChem CID171935283
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
SMILESCCOC(=O)C1(C)CCC2(C1)OCCO2
InChIInChI=1S/C11H18O4/c1-3-13-9(12)10(2)4-5-11(8-10)14-6-7-15-11/h3-8H2,1-2H3
InChIKeyJMZSQSATLPHJTI-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-methyl-1,4-dioxaspiro[4.51]hexapentacontane-8-carboxylate
CID 139462864
ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 159011584
ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 14525142
ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 129073640
diethyl (6R)-1,7-dioxaspiro[5.5]undecane-4,4-dicarboxylate
CID 134998609
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
ethyl 8-(methoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 121279376
ethyl (7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 56590225
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 139451395
ethyl 8-(3-iodopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 90037562
ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutanoate
CID 66038836

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate?
The IUPAC name of ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate (CID 171935283) is ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate.
What is the SMILES notation for ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate?
The canonical SMILES for ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate is CCOC(=O)C1(C)CCC2(C1)OCCO2.
What is the InChIKey of ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate?
The InChIKey is JMZSQSATLPHJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-13-9(12)10(2)4-5-11(8-10)14-6-7-15-11/h3-8H2,1-2H3.
What are the key properties of ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate?
ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate is sourced from PubChem (CID 171935283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).