2-cyclohexylethyl 2-iodopropanoate

C11H19IO2 — CID 155660085

IUPAC2-cyclohexylethyl 2-iodopropanoate
SMILESCC(I)C(=O)OCCC1CCCCC1
InChIInChI=1S/C11H19IO2/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3
InChIKeyQEBNABILDWCZMH-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.32
Rot. Bonds4

About 2-cyclohexylethyl 2-iodopropanoate

2-cyclohexylethyl 2-iodopropanoate (PubChem CID 155660085) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-cyclohexylethyl 2-iodopropanoate.

Molecular Properties

Compound Name2-cyclohexylethyl 2-iodopropanoate
PubChem CID155660085
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name2-cyclohexylethyl 2-iodopropanoate
SMILESCC(I)C(=O)OCCC1CCCCC1
InChIInChI=1S/C11H19IO2/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3
InChIKeyQEBNABILDWCZMH-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexylethyl 2-iodopentanoate
CID 155659907
2-(1-methylpyrrolidin-1-ium-2-yl)ethyl 2-iodopropanoate
CID 162509507
2-cyclopentylethyl methyl carbonate
CID 66771150
1-O-(2-cyclohexylethyl) 4-O-(2-methylpropyl) butanedioate
CID 91704743
2-cyclohexylethyl carbonochloridate
CID 19994353
O-(2-cyclohexylethyl) ethanethioate
CID 101381755
2-cyclohexylethyl 2-aminoacetate
CID 54016535
2-cyclohexylethyl 2-hydroxyacetate
CID 67340221
bis(2-methylpropyl) 2-(2-cyclohexylethyl)propanedioate
CID 118088621
2-propan-2-yloxyethylcycloheptane
CID 123201160
bis(2-cyclopentylethyl) propanedioate
CID 67140627
4-(2-cyclohexylethoxy)-3-(hydroxymethyl)-4-oxobutanoic acid
CID 174783530

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl 2-iodopropanoate?
The IUPAC name of 2-cyclohexylethyl 2-iodopropanoate (CID 155660085) is 2-cyclohexylethyl 2-iodopropanoate.
What is the SMILES notation for 2-cyclohexylethyl 2-iodopropanoate?
The canonical SMILES for 2-cyclohexylethyl 2-iodopropanoate is CC(I)C(=O)OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethyl 2-iodopropanoate?
The InChIKey is QEBNABILDWCZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IO2/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-cyclohexylethyl 2-iodopropanoate?
2-cyclohexylethyl 2-iodopropanoate has a molecular weight of 310.18 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl 2-iodopropanoate is sourced from PubChem (CID 155660085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).