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

C10H14O3 — CID 67854668

IUPAC2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid
SMILESCC1(C)C=CC=CC1OCC(=O)O
InChIInChI=1S/C10H14O3/c1-10(2)6-4-3-5-8(10)13-7-9(11)12/h3-6,8H,7H2,1-2H3,(H,11,12)
InChIKeyNAXUIIYZENMOMB-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.61
Rot. Bonds3

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

2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid (PubChem CID 67854668) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid
PubChem CID67854668
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid
SMILESCC1(C)C=CC=CC1OCC(=O)O
InChIInChI=1S/C10H14O3/c1-10(2)6-4-3-5-8(10)13-7-9(11)12/h3-6,8H,7H2,1-2H3,(H,11,12)
InChIKeyNAXUIIYZENMOMB-UHFFFAOYSA-N
XLogP1.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid?
The IUPAC name of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid (CID 67854668) is 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid.
What is the SMILES notation for 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid?
The canonical SMILES for 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid is CC1(C)C=CC=CC1OCC(=O)O.
What is the InChIKey of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid?
The InChIKey is NAXUIIYZENMOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-10(2)6-4-3-5-8(10)13-7-9(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)oxyacetic acid?
2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid has a molecular weight of 182.22 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)oxyacetic acid is sourced from PubChem (CID 67854668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).