2-(4-chloro-2-methylcyclohexyl)oxyacetic acid

C9H15ClO3 — CID 5259821

IUPAC2-(4-chloro-2-methylcyclohexyl)oxyacetic acid
SMILESCC1CC(Cl)CCC1OCC(=O)O
InChIInChI=1S/C9H15ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyQTKNGUBLKPIOMO-UHFFFAOYSA-N
MW206.67 g/mol
LogP1.88
Rot. Bonds3

About 2-(4-chloro-2-methylcyclohexyl)oxyacetic acid

2-(4-chloro-2-methylcyclohexyl)oxyacetic acid (PubChem CID 5259821) has the molecular formula C9H15ClO3 and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-(4-chloro-2-methylcyclohexyl)oxyacetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-methylcyclohexyl)oxyacetic acid
PubChem CID5259821
Molecular FormulaC9H15ClO3
Molecular Weight206.67 g/mol
Exact Mass206.07
IUPAC Name2-(4-chloro-2-methylcyclohexyl)oxyacetic acid
SMILESCC1CC(Cl)CCC1OCC(=O)O
InChIInChI=1S/C9H15ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyQTKNGUBLKPIOMO-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
2-[6-(methoxymethyl)-2,5-dimethyloxan-3-yl]oxyacetic acid
CID 166081968
1,4-dichloro-2-methylcyclohexane
CID 44557993
trans-tert-butyl (1R,2R)-4-chloro-2-methylcyclohexane-1-carboxylate
CID 6708790
2-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyacetic acid
CID 45073882
5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid
CID 119235360
2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876981
2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid
CID 119954564
1-(2-methylcyclohexyl)oxybutan-2-one
CID 62040617
2-[2-(2-chloro-2-oxoethoxy)cyclopentyl]oxyacetyl chloride
CID 87657847
2-cyclododecyloxyacetic acid
CID 19371812
2-cycloheptyloxyacetic acid
CID 61069533

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylcyclohexyl)oxyacetic acid?
The IUPAC name of 2-(4-chloro-2-methylcyclohexyl)oxyacetic acid (CID 5259821) is 2-(4-chloro-2-methylcyclohexyl)oxyacetic acid.
What is the SMILES notation for 2-(4-chloro-2-methylcyclohexyl)oxyacetic acid?
The canonical SMILES for 2-(4-chloro-2-methylcyclohexyl)oxyacetic acid is CC1CC(Cl)CCC1OCC(=O)O.
What is the InChIKey of 2-(4-chloro-2-methylcyclohexyl)oxyacetic acid?
The InChIKey is QTKNGUBLKPIOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(4-chloro-2-methylcyclohexyl)oxyacetic acid?
2-(4-chloro-2-methylcyclohexyl)oxyacetic acid has a molecular weight of 206.67 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylcyclohexyl)oxyacetic acid is sourced from PubChem (CID 5259821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).