2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid

C14H24O3S — CID 79900287

IUPAC2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid
SMILESCCC(CC)(C(=O)O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H24O3S/c1-3-14(4-2,12(15)16)11-5-7-17-13(9-11)6-8-18-10-13/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyTXQYYIOAWBAVHC-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.18
Rot. Bonds4

About 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid

2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid (PubChem CID 79900287) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid
PubChem CID79900287
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid
SMILESCCC(CC)(C(=O)O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H24O3S/c1-3-14(4-2,12(15)16)11-5-7-17-13(9-11)6-8-18-10-13/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyTXQYYIOAWBAVHC-UHFFFAOYSA-N
XLogP3.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid?
The IUPAC name of 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid (CID 79900287) is 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid?
The canonical SMILES for 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid is CCC(CC)(C(=O)O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid?
The InChIKey is TXQYYIOAWBAVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c1-3-14(4-2,12(15)16)11-5-7-17-13(9-11)6-8-18-10-13/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid?
2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid has a molecular weight of 272.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butanoic acid is sourced from PubChem (CID 79900287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).