[(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene

C13H19I — CID 11001118

IUPAC[(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene
SMILESC[C@H](Cc1ccccc1)C[C@@H](C)CI
InChIInChI=1S/C13H19I/c1-11(8-12(2)10-14)9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyJYOLKKREBPVZMI-NWDGAFQWSA-N
MW302.20 g/mol
LogP4.33
Rot. Bonds5

About [(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene

[(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene (PubChem CID 11001118) has the molecular formula C13H19I and a molecular weight of 302.20 g/mol. Its IUPAC name is [(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene.

Molecular Properties

Compound Name[(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene
PubChem CID11001118
Molecular FormulaC13H19I
Molecular Weight302.20 g/mol
Exact Mass302.05
IUPAC Name[(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene
SMILESC[C@H](Cc1ccccc1)C[C@@H](C)CI
InChIInChI=1S/C13H19I/c1-11(8-12(2)10-14)9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyJYOLKKREBPVZMI-NWDGAFQWSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.33
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

(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol
CID 15830826
1-benzyl-4-(2,4-dimethylpentyl)benzene
CID 147045778
dimethyl-(2-methyl-3-phenylpropyl)alumane
CID 19598535
2-methyl-3-phenylpropan-1-amine
CID 12672558
2-methyl-3-phenylpropane-1-thiol
CID 19981761
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
4-methyl-2,5-diphenylpentanoic acid
CID 82160563
(4-methyl-2-propan-2-ylpentyl)benzene
CID 59105661
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
ethane;2-methylpropylbenzene
CID 162200929
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene?
The IUPAC name of [(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene (CID 11001118) is [(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene.
What is the SMILES notation for [(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene?
The canonical SMILES for [(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene is C[C@H](Cc1ccccc1)C[C@@H](C)CI.
What is the InChIKey of [(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene?
The InChIKey is JYOLKKREBPVZMI-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H19I/c1-11(8-12(2)10-14)9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of [(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene?
[(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene has a molecular weight of 302.20 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene is sourced from PubChem (CID 11001118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).