trans-(1R,2R)-1-iodo-2-methoxycyclohexane

C7H13IO — CID 11447803

IUPACtrans-(1R,2R)-1-iodo-2-methoxycyclohexane
SMILESCO[C@@H]1CCCC[C@H]1I
InChIInChI=1S/C7H13IO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyAWPSFXGKLLMWED-RNFRBKRXSA-N
MW240.08 g/mol
LogP2.38
Rot. Bonds1

About trans-(1R,2R)-1-iodo-2-methoxycyclohexane

trans-(1R,2R)-1-iodo-2-methoxycyclohexane (PubChem CID 11447803) has the molecular formula C7H13IO and a molecular weight of 240.08 g/mol. Its IUPAC name is trans-(1R,2R)-1-iodo-2-methoxycyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-iodo-2-methoxycyclohexane
PubChem CID11447803
Molecular FormulaC7H13IO
Molecular Weight240.08 g/mol
Exact Mass240.00
IUPAC Nametrans-(1R,2R)-1-iodo-2-methoxycyclohexane
SMILESCO[C@@H]1CCCC[C@H]1I
InChIInChI=1S/C7H13IO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyAWPSFXGKLLMWED-RNFRBKRXSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 52.38
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-iodo-2-methoxycyclohexane?
The IUPAC name of trans-(1R,2R)-1-iodo-2-methoxycyclohexane (CID 11447803) is trans-(1R,2R)-1-iodo-2-methoxycyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-iodo-2-methoxycyclohexane?
The canonical SMILES for trans-(1R,2R)-1-iodo-2-methoxycyclohexane is CO[C@@H]1CCCC[C@H]1I.
What is the InChIKey of trans-(1R,2R)-1-iodo-2-methoxycyclohexane?
The InChIKey is AWPSFXGKLLMWED-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13IO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-1-iodo-2-methoxycyclohexane?
trans-(1R,2R)-1-iodo-2-methoxycyclohexane has a molecular weight of 240.08 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-iodo-2-methoxycyclohexane is sourced from PubChem (CID 11447803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).