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

C6H11I — CID 89328787

IUPACtrans-(1R,2R)-1-iodo-2-methylcyclopentane
SMILESC[C@@H]1CCC[C@H]1I
InChIInChI=1S/C6H11I/c1-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyAYRSEXWPCCRZSZ-PHDIDXHHSA-N
MW210.06 g/mol
LogP2.61
Rot. Bonds

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

trans-(1R,2R)-1-iodo-2-methylcyclopentane (PubChem CID 89328787) has the molecular formula C6H11I and a molecular weight of 210.06 g/mol. Its IUPAC name is trans-(1R,2R)-1-iodo-2-methylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-iodo-2-methylcyclopentane
PubChem CID89328787
Molecular FormulaC6H11I
Molecular Weight210.06 g/mol
Exact Mass209.99
IUPAC Nametrans-(1R,2R)-1-iodo-2-methylcyclopentane
SMILESC[C@@H]1CCC[C@H]1I
InChIInChI=1S/C6H11I/c1-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyAYRSEXWPCCRZSZ-PHDIDXHHSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.06
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-methylcyclopentane?
The IUPAC name of trans-(1R,2R)-1-iodo-2-methylcyclopentane (CID 89328787) is trans-(1R,2R)-1-iodo-2-methylcyclopentane.
What is the SMILES notation for trans-(1R,2R)-1-iodo-2-methylcyclopentane?
The canonical SMILES for trans-(1R,2R)-1-iodo-2-methylcyclopentane is C[C@@H]1CCC[C@H]1I.
What is the InChIKey of trans-(1R,2R)-1-iodo-2-methylcyclopentane?
The InChIKey is AYRSEXWPCCRZSZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11I/c1-5-3-2-4-6(5)7/h5-6H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-1-iodo-2-methylcyclopentane?
trans-(1R,2R)-1-iodo-2-methylcyclopentane has a molecular weight of 210.06 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-iodo-2-methylcyclopentane is sourced from PubChem (CID 89328787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).