2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid

C15H24O5 — CID 56673834

IUPAC2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid
SMILESO=C(O)CC1CCC2(CC1)COC1(CCCCC1)OO2
InChIInChI=1S/C15H24O5/c16-13(17)10-12-4-8-14(9-5-12)11-18-15(20-19-14)6-2-1-3-7-15/h12H,1-11H2,(H,16,17)
InChIKeyZTWWGFYORUTLIR-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.03
Rot. Bonds2

About 2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid

2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid (PubChem CID 56673834) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid
PubChem CID56673834
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid
SMILESO=C(O)CC1CCC2(CC1)COC1(CCCCC1)OO2
InChIInChI=1S/C15H24O5/c16-13(17)10-12-4-8-14(9-5-12)11-18-15(20-19-14)6-2-1-3-7-15/h12H,1-11H2,(H,16,17)
InChIKeyZTWWGFYORUTLIR-UHFFFAOYSA-N
XLogP3.03
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic 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

2-spiro[5.5]undecan-3-ylacetic acid
CID 83909560
azane;2-cyclohexylacetic acid;iron
CID 67746719
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol
CID 24828450
2-(4,4-diethylcyclohexyl)acetic acid
CID 123185635
2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid
CID 130640853
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
2-cyclohexylacetic acid;sulfuric acid
CID 174433718
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
2-spiro[4.5]decan-9-ylacetic acid
CID 150402729
2-(2,2-difluorospiro[2.5]octan-6-yl)acetic acid
CID 105455969

Frequently Asked Questions

What is the IUPAC name of 2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid?
The IUPAC name of 2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid (CID 56673834) is 2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid.
What is the SMILES notation for 2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid?
The canonical SMILES for 2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid is O=C(O)CC1CCC2(CC1)COC1(CCCCC1)OO2.
What is the InChIKey of 2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid?
The InChIKey is ZTWWGFYORUTLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c16-13(17)10-12-4-8-14(9-5-12)11-18-15(20-19-14)6-2-1-3-7-15/h12H,1-11H2,(H,16,17).
What are the key properties of 2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid?
2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid has a molecular weight of 284.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,15,16-trioxadispiro[5.2.59.26]hexadecan-3-yl)acetic acid is sourced from PubChem (CID 56673834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).