4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid

C10H14Cl2O3 — CID 104928309

IUPAC4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCC(Cl)=CCl)CC1
InChIInChI=1S/C10H14Cl2O3/c11-5-8(12)6-15-9-3-1-7(2-4-9)10(13)14/h5,7,9H,1-4,6H2,(H,13,14)
InChIKeyZOFXMHXSBIXJGF-UHFFFAOYSA-N
MW253.12 g/mol
LogP2.97
Rot. Bonds4

About 4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid

4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid (PubChem CID 104928309) has the molecular formula C10H14Cl2O3 and a molecular weight of 253.12 g/mol. Its IUPAC name is 4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid
PubChem CID104928309
Molecular FormulaC10H14Cl2O3
Molecular Weight253.12 g/mol
Exact Mass252.03
IUPAC Name4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCC(Cl)=CCl)CC1
InChIInChI=1S/C10H14Cl2O3/c11-5-8(12)6-15-9-3-1-7(2-4-9)10(13)14/h5,7,9H,1-4,6H2,(H,13,14)
InChIKeyZOFXMHXSBIXJGF-UHFFFAOYSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.12
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid
CID 114451265
4-but-3-enoxycyclohexane-1-carboxylic acid
CID 114451318
4-(2,2-dimethylpropoxy)cyclohexane-1-carboxylic acid
CID 166848730
4-(3-hydroxypropoxy)cyclohexane-1-carboxylic acid
CID 70832253
4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethoxy]cyclohexane-1-carboxylic acid
CID 114451153
4-(4-methoxybutoxy)cyclohexane-1-carboxylic acid
CID 114451014
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
4-(3-hydroxy-3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 114451192
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
3-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 19804660
(1R,5R,6S)-6-[(2-cyclopropyloxyacetyl)amino]bicyclo[3.2.0]heptane-3-carboxylic acid
CID 138027310

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid (CID 104928309) is 4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(OCC(Cl)=CCl)CC1.
What is the InChIKey of 4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid?
The InChIKey is ZOFXMHXSBIXJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2O3/c11-5-8(12)6-15-9-3-1-7(2-4-9)10(13)14/h5,7,9H,1-4,6H2,(H,13,14).
What are the key properties of 4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid?
4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid has a molecular weight of 253.12 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104928309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).