2,2-dimethylspiro[2.4]heptane-1-carboxylic acid

C10H16O2 — CID 20531773

IUPAC2,2-dimethylspiro[2.4]heptane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C12CCCC2
InChIInChI=1S/C10H16O2/c1-9(2)7(8(11)12)10(9)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyNKIXSBGTDVMHAI-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds1

About 2,2-dimethylspiro[2.4]heptane-1-carboxylic acid

2,2-dimethylspiro[2.4]heptane-1-carboxylic acid (PubChem CID 20531773) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2-dimethylspiro[2.4]heptane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethylspiro[2.4]heptane-1-carboxylic acid
PubChem CID20531773
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,2-dimethylspiro[2.4]heptane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C12CCCC2
InChIInChI=1S/C10H16O2/c1-9(2)7(8(11)12)10(9)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyNKIXSBGTDVMHAI-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylspiro[2.4]heptane-1-carboxylic acid?
The IUPAC name of 2,2-dimethylspiro[2.4]heptane-1-carboxylic acid (CID 20531773) is 2,2-dimethylspiro[2.4]heptane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethylspiro[2.4]heptane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethylspiro[2.4]heptane-1-carboxylic acid is CC1(C)C(C(=O)O)C12CCCC2.
What is the InChIKey of 2,2-dimethylspiro[2.4]heptane-1-carboxylic acid?
The InChIKey is NKIXSBGTDVMHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)7(8(11)12)10(9)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2,2-dimethylspiro[2.4]heptane-1-carboxylic acid?
2,2-dimethylspiro[2.4]heptane-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylspiro[2.4]heptane-1-carboxylic acid is sourced from PubChem (CID 20531773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).