2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid

C10H14O2 — CID 53446352

IUPAC2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid
SMILESCC1(C)C=CC=CC1CC(=O)O
InChIInChI=1S/C10H14O2/c1-10(2)6-4-3-5-8(10)7-9(11)12/h3-6,8H,7H2,1-2H3,(H,11,12)
InChIKeyJJHUTNANNGLEMU-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.23
Rot. Bonds2

About 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid

2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid (PubChem CID 53446352) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid
PubChem CID53446352
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid
SMILESCC1(C)C=CC=CC1CC(=O)O
InChIInChI=1S/C10H14O2/c1-10(2)6-4-3-5-8(10)7-9(11)12/h3-6,8H,7H2,1-2H3,(H,11,12)
InChIKeyJJHUTNANNGLEMU-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

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid?
The IUPAC name of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid (CID 53446352) is 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid.
What is the SMILES notation for 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid?
The canonical SMILES for 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid is CC1(C)C=CC=CC1CC(=O)O.
What is the InChIKey of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid?
The InChIKey is JJHUTNANNGLEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(2)6-4-3-5-8(10)7-9(11)12/h3-6,8H,7H2,1-2H3,(H,11,12).
What are the key properties of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid?
2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic 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 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)acetic acid is sourced from PubChem (CID 53446352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).