8,8-dimethylspiro[2.5]octane-2-carboxylic acid

C11H18O2 — CID 79852250

IUPAC8,8-dimethylspiro[2.5]octane-2-carboxylic acid
SMILESCC1(C)CCCCC12CC2C(=O)O
InChIInChI=1S/C11H18O2/c1-10(2)5-3-4-6-11(10)7-8(11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyMXEZTZPGXBIEQO-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds1

About 8,8-dimethylspiro[2.5]octane-2-carboxylic acid

8,8-dimethylspiro[2.5]octane-2-carboxylic acid (PubChem CID 79852250) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 8,8-dimethylspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name8,8-dimethylspiro[2.5]octane-2-carboxylic acid
PubChem CID79852250
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name8,8-dimethylspiro[2.5]octane-2-carboxylic acid
SMILESCC1(C)CCCCC12CC2C(=O)O
InChIInChI=1S/C11H18O2/c1-10(2)5-3-4-6-11(10)7-8(11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyMXEZTZPGXBIEQO-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethylspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 8,8-dimethylspiro[2.5]octane-2-carboxylic acid (CID 79852250) is 8,8-dimethylspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 8,8-dimethylspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 8,8-dimethylspiro[2.5]octane-2-carboxylic acid is CC1(C)CCCCC12CC2C(=O)O.
What is the InChIKey of 8,8-dimethylspiro[2.5]octane-2-carboxylic acid?
The InChIKey is MXEZTZPGXBIEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)5-3-4-6-11(10)7-8(11)9(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 8,8-dimethylspiro[2.5]octane-2-carboxylic acid?
8,8-dimethylspiro[2.5]octane-2-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethylspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 79852250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).