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

C11H18O6 — CID 66776625

IUPAC2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid
SMILESCCC1(C(C)C(=O)O)OCC2(CO1)OCCO2
InChIInChI=1S/C11H18O6/c1-3-11(8(2)9(12)13)16-6-10(7-17-11)14-4-5-15-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyYGFGVZJSZPBRQY-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.60
Rot. Bonds3

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

2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid (PubChem CID 66776625) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid.

Molecular Properties

Compound Name2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid
PubChem CID66776625
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid
SMILESCCC1(C(C)C(=O)O)OCC2(CO1)OCCO2
InChIInChI=1S/C11H18O6/c1-3-11(8(2)9(12)13)16-6-10(7-17-11)14-4-5-15-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyYGFGVZJSZPBRQY-UHFFFAOYSA-N
XLogP0.60
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid?
The IUPAC name of 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid (CID 66776625) is 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid.
What is the SMILES notation for 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid?
The canonical SMILES for 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid is CCC1(C(C)C(=O)O)OCC2(CO1)OCCO2.
What is the InChIKey of 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid?
The InChIKey is YGFGVZJSZPBRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6/c1-3-11(8(2)9(12)13)16-6-10(7-17-11)14-4-5-15-10/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid?
2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)propanoic acid is sourced from PubChem (CID 66776625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).