4-propylcyclohexa-2,4-diene-1-carboxylic acid

C10H14O2 — CID 89176354

IUPAC4-propylcyclohexa-2,4-diene-1-carboxylic acid
SMILESCCCC1=CCC(C(=O)O)C=C1
InChIInChI=1S/C10H14O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-6,9H,2-3,7H2,1H3,(H,11,12)
InChIKeyMLMAOQVAEAPWOE-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.37
Rot. Bonds3

About 4-propylcyclohexa-2,4-diene-1-carboxylic acid

4-propylcyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 89176354) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-propylcyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-propylcyclohexa-2,4-diene-1-carboxylic acid
PubChem CID89176354
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-propylcyclohexa-2,4-diene-1-carboxylic acid
SMILESCCCC1=CCC(C(=O)O)C=C1
InChIInChI=1S/C10H14O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-6,9H,2-3,7H2,1H3,(H,11,12)
InChIKeyMLMAOQVAEAPWOE-UHFFFAOYSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propylcyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 4-propylcyclohexa-2,4-diene-1-carboxylic acid (CID 89176354) is 4-propylcyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 4-propylcyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 4-propylcyclohexa-2,4-diene-1-carboxylic acid is CCCC1=CCC(C(=O)O)C=C1.
What is the InChIKey of 4-propylcyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is MLMAOQVAEAPWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-6,9H,2-3,7H2,1H3,(H,11,12).
What are the key properties of 4-propylcyclohexa-2,4-diene-1-carboxylic acid?
4-propylcyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 166.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylcyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 89176354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).