methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate

C11H18O6 — CID 59792569

IUPACmethyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate
SMILESCCC1(CC(=O)OC)OCC2(CO1)OCCO2
InChIInChI=1S/C11H18O6/c1-3-10(6-9(12)13-2)16-7-11(8-17-10)14-4-5-15-11/h3-8H2,1-2H3
InChIKeyXSCLLASNOUEYIB-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.45
Rot. Bonds3

About methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate

methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate (PubChem CID 59792569) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate
PubChem CID59792569
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Namemethyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate
SMILESCCC1(CC(=O)OC)OCC2(CO1)OCCO2
InChIInChI=1S/C11H18O6/c1-3-10(6-9(12)13-2)16-7-11(8-17-10)14-4-5-15-11/h3-8H2,1-2H3
InChIKeyXSCLLASNOUEYIB-UHFFFAOYSA-N
XLogP0.45
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate with MolForge

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Related Compounds

Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
CID 95392
Ethyl acetoacetate ethyleneglycol ketal
CID 80865
Dimethyl 2,2'-(1,3-dioxolane-2,2-diyl)diacetate
CID 228900
1,3-Dioxolane-2,2-diacetic acid, diethyl ester
CID 274348
Ethyl 3-(4-(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl)propanoate
CID 245458
1,4,8-Trioxaspiro[4.5]decane-7,9-dione
CID 13383450
Methyl [2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate
CID 13493537
Ethyl (2-propyl-1,3-dioxolan-2-yl)acetate
CID 14505110
1,4,8-Trioxaspiro[4.5]decan-7-one
CID 68023198
2-(2-Ethyl-[1,3]dioxolan-2-yl)fluoroacetic acid methyl ester
CID 86637054
2,2-Dimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 377710
Ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate
CID 13281918

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate?
The IUPAC name of methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate (CID 59792569) is methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate.
What is the SMILES notation for methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate?
The canonical SMILES for methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate is CCC1(CC(=O)OC)OCC2(CO1)OCCO2.
What is the InChIKey of methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate?
The InChIKey is XSCLLASNOUEYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6/c1-3-10(6-9(12)13-2)16-7-11(8-17-10)14-4-5-15-11/h3-8H2,1-2H3.
What are the key properties of methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate?
methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate has a molecular weight of 246.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)acetate is sourced from PubChem (CID 59792569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).