1-(10-cyclohexyldecyl)-4-iodobenzene

C22H35I — CID 129287266

IUPAC1-(10-cyclohexyldecyl)-4-iodobenzene
SMILESIc1ccc(CCCCCCCCCCC2CCCCC2)cc1
InChIInChI=1S/C22H35I/c23-22-18-16-21(17-19-22)15-9-6-4-2-1-3-5-8-12-20-13-10-7-11-14-20/h16-20H,1-15H2
InChIKeySGMKUEJCUBIYPR-UHFFFAOYSA-N
MW426.43 g/mol
LogP7.92
Rot. Bonds11

About 1-(10-cyclohexyldecyl)-4-iodobenzene

1-(10-cyclohexyldecyl)-4-iodobenzene (PubChem CID 129287266) has the molecular formula C22H35I and a molecular weight of 426.43 g/mol. Its IUPAC name is 1-(10-cyclohexyldecyl)-4-iodobenzene.

Molecular Properties

Compound Name1-(10-cyclohexyldecyl)-4-iodobenzene
PubChem CID129287266
Molecular FormulaC22H35I
Molecular Weight426.43 g/mol
Exact Mass426.18
IUPAC Name1-(10-cyclohexyldecyl)-4-iodobenzene
SMILESIc1ccc(CCCCCCCCCCC2CCCCC2)cc1
InChIInChI=1S/C22H35I/c23-22-18-16-21(17-19-22)15-9-6-4-2-1-3-5-8-12-20-13-10-7-11-14-20/h16-20H,1-15H2
InChIKeySGMKUEJCUBIYPR-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.43
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
[4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 70792444
5-cyclopropylpentylbenzene
CID 91089836
1-(5-cyclohexylpentyl)-3-ethylbenzene
CID 91406519
4-cyclopropylbutylbenzene
CID 10261592
4-cyclopentylbutylcyclohexane
CID 144547696
9-[3-(4-iodophenyl)propyl]-9-borabicyclo[3.3.1]nonane
CID 135071272
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid
CID 90424859
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
4-[5-(4-hydroxycyclohexyl)pentyl]phenol
CID 15052392
1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene
CID 141318682

Frequently Asked Questions

What is the IUPAC name of 1-(10-cyclohexyldecyl)-4-iodobenzene?
The IUPAC name of 1-(10-cyclohexyldecyl)-4-iodobenzene (CID 129287266) is 1-(10-cyclohexyldecyl)-4-iodobenzene.
What is the SMILES notation for 1-(10-cyclohexyldecyl)-4-iodobenzene?
The canonical SMILES for 1-(10-cyclohexyldecyl)-4-iodobenzene is Ic1ccc(CCCCCCCCCCC2CCCCC2)cc1.
What is the InChIKey of 1-(10-cyclohexyldecyl)-4-iodobenzene?
The InChIKey is SGMKUEJCUBIYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35I/c23-22-18-16-21(17-19-22)15-9-6-4-2-1-3-5-8-12-20-13-10-7-11-14-20/h16-20H,1-15H2.
What are the key properties of 1-(10-cyclohexyldecyl)-4-iodobenzene?
1-(10-cyclohexyldecyl)-4-iodobenzene has a molecular weight of 426.43 g/mol, XLogP of 7.92, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-cyclohexyldecyl)-4-iodobenzene is sourced from PubChem (CID 129287266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).