cis-(1R,3S)-3-iodocyclohexan-1-ol

C6H11IO — CID 89192382

IUPACcis-(1R,3S)-3-iodocyclohexan-1-ol
SMILESO[C@@H]1CCC[C@H](I)C1
InChIInChI=1S/C6H11IO/c7-5-2-1-3-6(8)4-5/h5-6,8H,1-4H2/t5-,6+/m0/s1
InChIKeyLDCPHGYWSUZEFL-NTSWFWBYSA-N
MW226.06 g/mol
LogP1.72
Rot. Bonds

About cis-(1R,3S)-3-iodocyclohexan-1-ol

cis-(1R,3S)-3-iodocyclohexan-1-ol (PubChem CID 89192382) has the molecular formula C6H11IO and a molecular weight of 226.06 g/mol. Its IUPAC name is cis-(1R,3S)-3-iodocyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-iodocyclohexan-1-ol
PubChem CID89192382
Molecular FormulaC6H11IO
Molecular Weight226.06 g/mol
Exact Mass225.99
IUPAC Namecis-(1R,3S)-3-iodocyclohexan-1-ol
SMILESO[C@@H]1CCC[C@H](I)C1
InChIInChI=1S/C6H11IO/c7-5-2-1-3-6(8)4-5/h5-6,8H,1-4H2/t5-,6+/m0/s1
InChIKeyLDCPHGYWSUZEFL-NTSWFWBYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
potassium cyclohexane-1,3-diol
CID 22067166
cis-(1S,3R)-cyclohexane-1,3-diol;copper
CID 68514238
cis-(1S,3R)-cyclooctane-1,3-diol
CID 59075450
3-(3-hydroxycyclohexyl)cycloheptan-1-ol
CID 129132382
trans-(1R,3R)-3-cyclopentylcyclohexan-1-ol
CID 66963449
cyclobutanol;cyclopropanol
CID 175019048
(1S)-1,5-diiodocyclododecane
CID 118632109
cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol
CID 69296873
ethane;(1R)-3-methylcyclohexan-1-ol
CID 145275507
1-(3-iodocyclohexyl)ethanone
CID 12564078

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-iodocyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-iodocyclohexan-1-ol (CID 89192382) is cis-(1R,3S)-3-iodocyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-iodocyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-iodocyclohexan-1-ol is O[C@@H]1CCC[C@H](I)C1.
What is the InChIKey of cis-(1R,3S)-3-iodocyclohexan-1-ol?
The InChIKey is LDCPHGYWSUZEFL-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11IO/c7-5-2-1-3-6(8)4-5/h5-6,8H,1-4H2/t5-,6+/m0/s1.
What are the key properties of cis-(1R,3S)-3-iodocyclohexan-1-ol?
cis-(1R,3S)-3-iodocyclohexan-1-ol has a molecular weight of 226.06 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-iodocyclohexan-1-ol is sourced from PubChem (CID 89192382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).