ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate

C23H38O8 — CID 159011584

IUPACethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(C)CCC2(CC1)OCCO2.CCOC(=O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O4.C11H18O4/c1-3-14-10(13)11(2)4-6-12(7-5-11)15-8-9-16-12;1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11/h3-9H2,1-2H3;9H,2-8H2,1H3
InChIKeyJSOBEAAGPXAYOM-UHFFFAOYSA-N
MW442.55 g/mol
LogP3.36
Rot. Bonds4

About ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate

ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 159011584) has the molecular formula C23H38O8 and a molecular weight of 442.55 g/mol. Its IUPAC name is ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID159011584
Molecular FormulaC23H38O8
Molecular Weight442.55 g/mol
Exact Mass442.26
IUPAC Nameethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(C)CCC2(CC1)OCCO2.CCOC(=O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O4.C11H18O4/c1-3-14-10(13)11(2)4-6-12(7-5-11)15-8-9-16-12;1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11/h3-9H2,1-2H3;9H,2-8H2,1H3
InChIKeyJSOBEAAGPXAYOM-UHFFFAOYSA-N
XLogP3.36
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

ethyl 8-methyl-1,4-dioxaspiro[4.51]hexapentacontane-8-carboxylate
CID 139462864
ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 171935283
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride
CID 143101970
pentan-3-yl 1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 10777478
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
ethyl (4S,6R)-1,7-dioxaspiro[5.5]undecane-4-carboxylate
CID 101378578
ethyl (7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 56590225
ethyl 8-(methoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 121279376
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-formyl-4-hydroxycyclohexane-1-carboxylate
CID 118208123

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 159011584) is ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1(C)CCC2(CC1)OCCO2.CCOC(=O)C1CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is JSOBEAAGPXAYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4.C11H18O4/c1-3-14-10(13)11(2)4-6-12(7-5-11)15-8-9-16-12;1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11/h3-9H2,1-2H3;9H,2-8H2,1H3.
What are the key properties of ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 442.55 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 159011584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).