6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid

C11H16O3 — CID 24870714

IUPAC6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid
SMILESCC1=C(C(=O)O)C(O)=C(C(C)C)CC1
InChIInChI=1S/C11H16O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h6,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyRJVFPPRPWQQGGF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.65
Rot. Bonds2

About 6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid

6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid (PubChem CID 24870714) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid
PubChem CID24870714
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid
SMILESCC1=C(C(=O)O)C(O)=C(C(C)C)CC1
InChIInChI=1S/C11H16O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h6,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyRJVFPPRPWQQGGF-UHFFFAOYSA-N
XLogP2.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid?
The IUPAC name of 6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid (CID 24870714) is 6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid?
The canonical SMILES for 6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid is CC1=C(C(=O)O)C(O)=C(C(C)C)CC1.
What is the InChIKey of 6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid?
The InChIKey is RJVFPPRPWQQGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h6,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid?
6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid is sourced from PubChem (CID 24870714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).