4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid

C10H15ClO3 — CID 114451265

IUPAC4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OC/C=C/Cl)CC1
InChIInChI=1S/C10H15ClO3/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h1,6,8-9H,2-5,7H2,(H,12,13)/b6-1+
InChIKeyIMMLPCASDWWMCX-LZCJLJQNSA-N
MW218.68 g/mol
LogP2.40
Rot. Bonds4

About 4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid

4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid (PubChem CID 114451265) has the molecular formula C10H15ClO3 and a molecular weight of 218.68 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid
PubChem CID114451265
Molecular FormulaC10H15ClO3
Molecular Weight218.68 g/mol
Exact Mass218.07
IUPAC Name4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OC/C=C/Cl)CC1
InChIInChI=1S/C10H15ClO3/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h1,6,8-9H,2-5,7H2,(H,12,13)/b6-1+
InChIKeyIMMLPCASDWWMCX-LZCJLJQNSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dichloroprop-2-enoxy)cyclohexane-1-carboxylic acid
CID 104928309
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-(4-methoxybutoxy)cyclohexane-1-carboxylic acid
CID 114451014
4-cyclobutyloxybut-2-enoic acid
CID 76940507
4-[(E)-3-fluoroprop-2-enyl]cyclohexane-1-carboxylic acid
CID 66818063
4-(3-hydroxy-3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 114451192
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid
CID 126845693
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexane-1-carboxylic acid
CID 114451055

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid (CID 114451265) is 4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(OC/C=C/Cl)CC1.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid?
The InChIKey is IMMLPCASDWWMCX-LZCJLJQNSA-N. The full InChI is InChI=1S/C10H15ClO3/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h1,6,8-9H,2-5,7H2,(H,12,13)/b6-1+.
What are the key properties of 4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid?
4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid has a molecular weight of 218.68 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-2-enoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114451265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).