2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide

C9H15IO2 — CID 153399735

IUPAC2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide
SMILESO=C(I)C[C@H]1CCCC[C@@H]1CO
InChIInChI=1S/C9H15IO2/c10-9(12)5-7-3-1-2-4-8(7)6-11/h7-8,11H,1-6H2/t7-,8-/m1/s1
InChIKeyWAFVJPKOXPGKHP-HTQZYQBOSA-N
MW282.12 g/mol
LogP2.14
Rot. Bonds3

About 2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide

2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide (PubChem CID 153399735) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide.

Molecular Properties

Compound Name2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide
PubChem CID153399735
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide
SMILESO=C(I)C[C@H]1CCCC[C@@H]1CO
InChIInChI=1S/C9H15IO2/c10-9(12)5-7-3-1-2-4-8(7)6-11/h7-8,11H,1-6H2/t7-,8-/m1/s1
InChIKeyWAFVJPKOXPGKHP-HTQZYQBOSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;[(1R,2R)-2-(hydroxymethyl)cycloheptyl]methanol
CID 71398880
dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol
CID 163689095
[2-(2-fluoroethyl)cyclohexyl]methanol
CID 84716751
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
2-(hydroxymethyl)cyclohexane-1-carbaldehyde
CID 13194685
tert-butyl 2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]acetate
CID 165062523
[2-(hydroxymethyl)cyclohexyl]methanol;2-methylbut-2-enoic acid
CID 174557513
2-(hydroxymethyl)cyclododecane-1-carbaldehyde
CID 54076682
2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide
CID 103255271
2-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 167284172
5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103255247
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide?
The IUPAC name of 2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide (CID 153399735) is 2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide.
What is the SMILES notation for 2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide?
The canonical SMILES for 2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide is O=C(I)C[C@H]1CCCC[C@@H]1CO.
What is the InChIKey of 2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide?
The InChIKey is WAFVJPKOXPGKHP-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15IO2/c10-9(12)5-7-3-1-2-4-8(7)6-11/h7-8,11H,1-6H2/t7-,8-/m1/s1.
What are the key properties of 2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide?
2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide has a molecular weight of 282.12 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide is sourced from PubChem (CID 153399735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).