ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate

C13H22O5 — CID 135038660

IUPACethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate
SMILESCCOC(=O)C(C)(OC)C1CCC2(C1)OCCO2
InChIInChI=1S/C13H22O5/c1-4-16-11(14)12(2,15-3)10-5-6-13(9-10)17-7-8-18-13/h10H,4-9H2,1-3H3
InChIKeyUNHNUJUSTZNORK-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.50
Rot. Bonds4

About ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate

ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate (PubChem CID 135038660) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate.

Molecular Properties

Compound Nameethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate
PubChem CID135038660
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Nameethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate
SMILESCCOC(=O)C(C)(OC)C1CCC2(C1)OCCO2
InChIInChI=1S/C13H22O5/c1-4-16-11(14)12(2,15-3)10-5-6-13(9-10)17-7-8-18-13/h10H,4-9H2,1-3H3
InChIKeyUNHNUJUSTZNORK-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methylpropanoate
CID 135011047
Tert-butyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-3-methylbutanoate
CID 135011234
Tert-butyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)butanoate
CID 135038740
Tert-butyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)propanoate
CID 135038779
1,4-Dioxaspiro[4.4]nonane-7,8-dicarboxylic acid, diethyl ester
CID 588504
1,4-Dioxaspiro[4.4]nonane-7-acetic acid, ethyl ester, (S)-
CID 11042109
Dimethyl 1,4-Dioxaspiro[4.4]nonane-7,8-dicarboxylate
CID 12774285
dimethyl (7R,8R)-1,4-dioxaspiro[4.4]nonane-7,8-dicarboxylate
CID 12774286
dimethyl (7S,8R)-1,4-dioxaspiro[4.4]nonane-7,8-dicarboxylate
CID 12774287
Ethyl 7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 13089481
ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 13089482
Ethyl 8-ethyl-1,4-dioxaspiro[4,4]nonane-7-carboxylate
CID 58557462

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate?
The IUPAC name of ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate (CID 135038660) is ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate.
What is the SMILES notation for ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate?
The canonical SMILES for ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate is CCOC(=O)C(C)(OC)C1CCC2(C1)OCCO2.
What is the InChIKey of ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate?
The InChIKey is UNHNUJUSTZNORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-4-16-11(14)12(2,15-3)10-5-6-13(9-10)17-7-8-18-13/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate?
ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate has a molecular weight of 258.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methoxypropanoate is sourced from PubChem (CID 135038660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).