2-spiro[2.5]octan-8-ylpropanoic acid

C11H18O2 — CID 83906677

IUPAC2-spiro[2.5]octan-8-ylpropanoic acid
SMILESCC(C(=O)O)C1CCCCC12CC2
InChIInChI=1S/C11H18O2/c1-8(10(12)13)9-4-2-3-5-11(9)6-7-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyYBJYELQMOQNTPF-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds2

About 2-spiro[2.5]octan-8-ylpropanoic acid

2-spiro[2.5]octan-8-ylpropanoic acid (PubChem CID 83906677) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-spiro[2.5]octan-8-ylpropanoic acid.

Molecular Properties

Compound Name2-spiro[2.5]octan-8-ylpropanoic acid
PubChem CID83906677
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-spiro[2.5]octan-8-ylpropanoic acid
SMILESCC(C(=O)O)C1CCCCC12CC2
InChIInChI=1S/C11H18O2/c1-8(10(12)13)9-4-2-3-5-11(9)6-7-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyYBJYELQMOQNTPF-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid
CID 112716667
9-propan-2-ylspiro[3.5]nonane
CID 140652255
10-(1-chloroethyl)spiro[4.5]decane
CID 130592919
7-propan-2-ylspiro[2.4]heptane
CID 154526076
2-(2,2-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 79852423
8-(dichloromethyl)spiro[2.5]octane
CID 71341933
2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid
CID 84669587
1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 103377621
spiro[5.6]dodecane-12-carboxylic acid
CID 59513338
2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
CID 175145276
2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid
CID 70517703
cyclopropanol;2-methylpropanoic acid
CID 174792699

Frequently Asked Questions

What is the IUPAC name of 2-spiro[2.5]octan-8-ylpropanoic acid?
The IUPAC name of 2-spiro[2.5]octan-8-ylpropanoic acid (CID 83906677) is 2-spiro[2.5]octan-8-ylpropanoic acid.
What is the SMILES notation for 2-spiro[2.5]octan-8-ylpropanoic acid?
The canonical SMILES for 2-spiro[2.5]octan-8-ylpropanoic acid is CC(C(=O)O)C1CCCCC12CC2.
What is the InChIKey of 2-spiro[2.5]octan-8-ylpropanoic acid?
The InChIKey is YBJYELQMOQNTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(10(12)13)9-4-2-3-5-11(9)6-7-11/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-spiro[2.5]octan-8-ylpropanoic acid?
2-spiro[2.5]octan-8-ylpropanoic acid has a molecular weight of 182.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[2.5]octan-8-ylpropanoic acid is sourced from PubChem (CID 83906677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).