(2R)-1,2-diiodohexane

C6H12I2 — CID 118680674

IUPAC(2R)-1,2-diiodohexane
SMILESCCCC[C@@H](I)CI
InChIInChI=1S/C6H12I2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyLEQRYJLODPPISB-ZCFIWIBFSA-N
MW337.97 g/mol
LogP3.42
Rot. Bonds4

About (2R)-1,2-diiodohexane

(2R)-1,2-diiodohexane (PubChem CID 118680674) has the molecular formula C6H12I2 and a molecular weight of 337.97 g/mol. Its IUPAC name is (2R)-1,2-diiodohexane.

Molecular Properties

Compound Name(2R)-1,2-diiodohexane
PubChem CID118680674
Molecular FormulaC6H12I2
Molecular Weight337.97 g/mol
Exact Mass337.90
IUPAC Name(2R)-1,2-diiodohexane
SMILESCCCC[C@@H](I)CI
InChIInChI=1S/C6H12I2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyLEQRYJLODPPISB-ZCFIWIBFSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.97
LogP ≤ 53.42
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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Related Compounds

(4S)-4-iodooctane
CID 97300695
(Z)-1,2-diiodooctadec-9-ene
CID 175474976
1,2-diiodooctan-4-ol
CID 18920920
6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
4-iodo-2-methyloctane
CID 174582268
1,2,11-triiodoundecane
CID 19808234
1,3-diiodononane
CID 168864693
4-iodo-8,12-dipropylhexadecane
CID 121245807
3-iodotetradecane
CID 122583608
tetrabutylphosphanium;tin(4+)
CID 160650774
1-iodo-2-(1-iodohexan-2-yloxy)hexane
CID 89313125

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-diiodohexane?
The IUPAC name of (2R)-1,2-diiodohexane (CID 118680674) is (2R)-1,2-diiodohexane.
What is the SMILES notation for (2R)-1,2-diiodohexane?
The canonical SMILES for (2R)-1,2-diiodohexane is CCCC[C@@H](I)CI.
What is the InChIKey of (2R)-1,2-diiodohexane?
The InChIKey is LEQRYJLODPPISB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12I2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1,2-diiodohexane?
(2R)-1,2-diiodohexane has a molecular weight of 337.97 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-diiodohexane is sourced from PubChem (CID 118680674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).