3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid

C13H22O4 — CID 70430703

IUPAC3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid
SMILESCC[C@]1(CCC(=O)O)CCCCC12OCCO2
InChIInChI=1S/C13H22O4/c1-2-12(8-5-11(14)15)6-3-4-7-13(12)16-9-10-17-13/h2-10H2,1H3,(H,14,15)/t12-/m1/s1
InChIKeyUCEAWIPDHADHTR-GFCCVEGCSA-N
MW242.31 g/mol
LogP2.56
Rot. Bonds4

About 3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid

3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid (PubChem CID 70430703) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid.

Molecular Properties

Compound Name3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid
PubChem CID70430703
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid
SMILESCC[C@]1(CCC(=O)O)CCCCC12OCCO2
InChIInChI=1S/C13H22O4/c1-2-12(8-5-11(14)15)6-3-4-7-13(12)16-9-10-17-13/h2-10H2,1H3,(H,14,15)/t12-/m1/s1
InChIKeyUCEAWIPDHADHTR-GFCCVEGCSA-N
XLogP2.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-phenyl-1,4-dioxaspiro[4.5]decan-6-yl)butanoic acid
CID 66692629
12-(2-nonyl-1,3-dioxolan-2-yl)dodecanoic acid
CID 123235392
1,2,2-triethylcyclohexane-1-carboxylic acid
CID 118982103
3-[(1S)-1-ethyl-2-oxocyclohexyl]propanoic acid
CID 54536642
14-[1-(13-carboxytridecyl)cyclohexyl]tetradecanoic acid
CID 54174262
CID 77472880
CID 77472880
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
2-(2-ethyl-1,3-dioxolan-2-yl)acetic acid
CID 13085716
3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid
CID 69312461
3-[1-(2-carboxyethyl)-4,4-dioctadecylcyclohexyl]propanoic acid
CID 139787373
2-(2-ethyloxolan-2-yl)acetic acid
CID 18432801
3-[2-[3-(butylamino)-3-oxopropyl]-1,3-dioxolan-2-yl]propanoic acid
CID 90393249

Frequently Asked Questions

What is the IUPAC name of 3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid?
The IUPAC name of 3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid (CID 70430703) is 3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid.
What is the SMILES notation for 3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid?
The canonical SMILES for 3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid is CC[C@]1(CCC(=O)O)CCCCC12OCCO2.
What is the InChIKey of 3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid?
The InChIKey is UCEAWIPDHADHTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22O4/c1-2-12(8-5-11(14)15)6-3-4-7-13(12)16-9-10-17-13/h2-10H2,1H3,(H,14,15)/t12-/m1/s1.
What are the key properties of 3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid?
3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid has a molecular weight of 242.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-6-ethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoic acid is sourced from PubChem (CID 70430703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).