4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid

C10H14O2 — CID 75089468

IUPAC4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid
SMILESCC(C)C1C=CC(C(=O)O)=CC1
InChIInChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3,5-8H,4H2,1-2H3,(H,11,12)
InChIKeyGOIHTQZDAFNYKF-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.23
Rot. Bonds2

About 4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid

4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid (PubChem CID 75089468) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid
PubChem CID75089468
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid
SMILESCC(C)C1C=CC(C(=O)O)=CC1
InChIInChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3,5-8H,4H2,1-2H3,(H,11,12)
InChIKeyGOIHTQZDAFNYKF-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid?
The IUPAC name of 4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid (CID 75089468) is 4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid.
What is the SMILES notation for 4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid?
The canonical SMILES for 4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid is CC(C)C1C=CC(C(=O)O)=CC1.
What is the InChIKey of 4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid?
The InChIKey is GOIHTQZDAFNYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3,5-8H,4H2,1-2H3,(H,11,12).
What are the key properties of 4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid?
4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid has a molecular weight of 166.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid is sourced from PubChem (CID 75089468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).