2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid

C15H24O3 — CID 101145068

IUPAC2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid
SMILESCC(=O)[C@@H]1C[C@@]12C(C)(C)CCC[C@]2(C)CC(=O)O
InChIInChI=1S/C15H24O3/c1-10(16)11-8-15(11)13(2,3)6-5-7-14(15,4)9-12(17)18/h11H,5-9H2,1-4H3,(H,17,18)/t11-,14+,15-/m0/s1
InChIKeyAFCCUSOVSFNJRK-GLQYFDAESA-N
MW252.35 g/mol
LogP3.27
Rot. Bonds3

About 2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid

2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid (PubChem CID 101145068) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid
PubChem CID101145068
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid
SMILESCC(=O)[C@@H]1C[C@@]12C(C)(C)CCC[C@]2(C)CC(=O)O
InChIInChI=1S/C15H24O3/c1-10(16)11-8-15(11)13(2,3)6-5-7-14(15,4)9-12(17)18/h11H,5-9H2,1-4H3,(H,17,18)/t11-,14+,15-/m0/s1
InChIKeyAFCCUSOVSFNJRK-GLQYFDAESA-N
XLogP3.27
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid with MolForge

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Related Compounds

2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid
CID 130647860
2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid
CID 83906993
(1,2,2-trimethylcyclopentyl)methanol
CID 12003447
2-(1,2-dimethyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetic acid
CID 167313981
2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid
CID 107000485
2-(2-acetyl-1-methylcyclobutyl)acetaldehyde
CID 130035364
2-methyl-4-(1,2,2-trimethylcyclopentyl)but-2-enal
CID 140878858
2-(3,3,4,4-tetramethylcyclopentyl)acetic acid
CID 135389559
2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid
CID 83909857
3-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]propanoic acid
CID 40551373
8,8-dimethylspiro[2.5]octane-2-carboxylic acid
CID 79852250
4-(3-hydroxy-3-methylcyclohexyl)butanoic acid
CID 71329438

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid?
The IUPAC name of 2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid (CID 101145068) is 2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid?
The canonical SMILES for 2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid is CC(=O)[C@@H]1C[C@@]12C(C)(C)CCC[C@]2(C)CC(=O)O.
What is the InChIKey of 2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid?
The InChIKey is AFCCUSOVSFNJRK-GLQYFDAESA-N. The full InChI is InChI=1S/C15H24O3/c1-10(16)11-8-15(11)13(2,3)6-5-7-14(15,4)9-12(17)18/h11H,5-9H2,1-4H3,(H,17,18)/t11-,14+,15-/m0/s1.
What are the key properties of 2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid?
2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid has a molecular weight of 252.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid is sourced from PubChem (CID 101145068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).