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

C13H22O5 — CID 129073640

IUPACethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(OCC)CCC2(CC1)OCCO2
InChIInChI=1S/C13H22O5/c1-3-15-11(14)12(16-4-2)5-7-13(8-6-12)17-9-10-18-13/h3-10H2,1-2H3
InChIKeyMVLFRMOMZCYYJM-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.64
Rot. Bonds4

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

ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 129073640) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID129073640
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Nameethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(OCC)CCC2(CC1)OCCO2
InChIInChI=1S/C13H22O5/c1-3-15-11(14)12(16-4-2)5-7-13(8-6-12)17-9-10-18-13/h3-10H2,1-2H3
InChIKeyMVLFRMOMZCYYJM-UHFFFAOYSA-N
XLogP1.64
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
CID 129073639
ethyl 8-methyl-1,4-dioxaspiro[4.51]hexapentacontane-8-carboxylate
CID 139462864
ethyl 8-(methoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 121279376
ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 171935283
ethyl 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 139451395
ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 159011584
ethyl 8-(3-iodopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 90037562
ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978481
ethyl 2-ethoxyoxirane-2-carboxylate
CID 123555291
ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutanoate
CID 66038836
ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59218761

Frequently Asked Questions

What is the IUPAC name of ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 129073640) is ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1(OCC)CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is MVLFRMOMZCYYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-3-15-11(14)12(16-4-2)5-7-13(8-6-12)17-9-10-18-13/h3-10H2,1-2H3.
What are the key properties of ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate?
ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 258.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 129073640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).