[(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate

C11H19IO2 — CID 23254791

IUPAC[(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate
SMILESCC(=O)O[C@H](C1CCCCC1)[C@H](C)I
InChIInChI=1S/C11H19IO2/c1-8(12)11(14-9(2)13)10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3/t8-,11-/m0/s1
InChIKeyVEALQVLGENJLIK-KWQFWETISA-N
MW310.18 g/mol
LogP3.32
Rot. Bonds3

About [(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate

[(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate (PubChem CID 23254791) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is [(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate.

Molecular Properties

Compound Name[(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate
PubChem CID23254791
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name[(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate
SMILESCC(=O)O[C@H](C1CCCCC1)[C@H](C)I
InChIInChI=1S/C11H19IO2/c1-8(12)11(14-9(2)13)10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3/t8-,11-/m0/s1
InChIKeyVEALQVLGENJLIK-KWQFWETISA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

1-cyclopentylethyl acetate
CID 12705472
2-acetyloxy-2-cyclohexylacetic acid
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[(2S)-1-cyclododecylpropan-2-yl] acetate
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acetyl acetate;(1R)-1-cyclohexylethanol;(1S)-1-cyclohexylethanol;[(1R)-1-cyclohexylethyl] acetate;[(1S)-1-cyclohexylethyl] acetate
CID 158946154
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
[(1S)-1-cyclohexylprop-2-enyl] acetate
CID 102474246
butanoic acid;1-cyclohexylethyl acetate
CID 175401865
1-cyclohexyloxyethyl acetate
CID 58944366
[(1S)-1-acetyloxyethyl] cyclohexanecarboxylate
CID 70191604
[(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate
CID 10779298
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CID 11481011
1-cyclohexylethyl (2S)-2-aminopropanoate
CID 165176376

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate?
The IUPAC name of [(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate (CID 23254791) is [(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate.
What is the SMILES notation for [(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate?
The canonical SMILES for [(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate is CC(=O)O[C@H](C1CCCCC1)[C@H](C)I.
What is the InChIKey of [(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate?
The InChIKey is VEALQVLGENJLIK-KWQFWETISA-N. The full InChI is InChI=1S/C11H19IO2/c1-8(12)11(14-9(2)13)10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3/t8-,11-/m0/s1.
What are the key properties of [(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate?
[(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate has a molecular weight of 310.18 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate is sourced from PubChem (CID 23254791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).