5-bromopentylcyclohexane;5-iodopentylcyclohexane

C22H42BrI — CID 160945423

IUPAC5-bromopentylcyclohexane;5-iodopentylcyclohexane
SMILESBrCCCCCC1CCCCC1.ICCCCCC1CCCCC1
InChIInChI=1S/C11H21Br.C11H21I/c2*12-10-6-2-5-9-11-7-3-1-4-8-11/h2*11H,1-10H2
InChIKeySVAUIBGVMLJYRI-UHFFFAOYSA-N
MW513.39 g/mol
LogP9.08
Rot. Bonds10

About 5-bromopentylcyclohexane;5-iodopentylcyclohexane

5-bromopentylcyclohexane;5-iodopentylcyclohexane (PubChem CID 160945423) has the molecular formula C22H42BrI and a molecular weight of 513.39 g/mol. Its IUPAC name is 5-bromopentylcyclohexane;5-iodopentylcyclohexane.

Molecular Properties

Compound Name5-bromopentylcyclohexane;5-iodopentylcyclohexane
PubChem CID160945423
Molecular FormulaC22H42BrI
Molecular Weight513.39 g/mol
Exact Mass512.15
IUPAC Name5-bromopentylcyclohexane;5-iodopentylcyclohexane
SMILESBrCCCCCC1CCCCC1.ICCCCCC1CCCCC1
InChIInChI=1S/C11H21Br.C11H21I/c2*12-10-6-2-5-9-11-7-3-1-4-8-11/h2*11H,1-10H2
InChIKeySVAUIBGVMLJYRI-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.39
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-iodopropylcyclopentane
CID 15508337
4-cyclopentylbutylcyclohexane
CID 144547696
2-(6-bromohexoxy)ethylcyclohexane
CID 19987546
5-cyclobutylpentylcyclobutane
CID 173228999
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
3-cyclobutylpropylcyclohexane
CID 54165208
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
11-cyclohexylundecan-1-ol
CID 18980516
6-cyclohexylhexan-1-amine
CID 19875455
tetradecylcyclododecane
CID 169026037

Frequently Asked Questions

What is the IUPAC name of 5-bromopentylcyclohexane;5-iodopentylcyclohexane?
The IUPAC name of 5-bromopentylcyclohexane;5-iodopentylcyclohexane (CID 160945423) is 5-bromopentylcyclohexane;5-iodopentylcyclohexane.
What is the SMILES notation for 5-bromopentylcyclohexane;5-iodopentylcyclohexane?
The canonical SMILES for 5-bromopentylcyclohexane;5-iodopentylcyclohexane is BrCCCCCC1CCCCC1.ICCCCCC1CCCCC1.
What is the InChIKey of 5-bromopentylcyclohexane;5-iodopentylcyclohexane?
The InChIKey is SVAUIBGVMLJYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br.C11H21I/c2*12-10-6-2-5-9-11-7-3-1-4-8-11/h2*11H,1-10H2.
What are the key properties of 5-bromopentylcyclohexane;5-iodopentylcyclohexane?
5-bromopentylcyclohexane;5-iodopentylcyclohexane has a molecular weight of 513.39 g/mol, XLogP of 9.08, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopentylcyclohexane;5-iodopentylcyclohexane is sourced from PubChem (CID 160945423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).