1-bromo-4-hexylcyclohexane

C12H23Br — CID 157160375

IUPAC1-bromo-4-hexylcyclohexane
SMILESCCCCCCC1CCC(Br)CC1
InChIInChI=1S/C12H23Br/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h11-12H,2-10H2,1H3
InChIKeyRZLNFQPIUJVRIP-UHFFFAOYSA-N
MW247.22 g/mol
LogP4.91
Rot. Bonds5

About 1-bromo-4-hexylcyclohexane

1-bromo-4-hexylcyclohexane (PubChem CID 157160375) has the molecular formula C12H23Br and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-bromo-4-hexylcyclohexane.

Molecular Properties

Compound Name1-bromo-4-hexylcyclohexane
PubChem CID157160375
Molecular FormulaC12H23Br
Molecular Weight247.22 g/mol
Exact Mass246.10
IUPAC Name1-bromo-4-hexylcyclohexane
SMILESCCCCCCC1CCC(Br)CC1
InChIInChI=1S/C12H23Br/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h11-12H,2-10H2,1H3
InChIKeyRZLNFQPIUJVRIP-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 54.91
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'}

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Related Compounds

1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-bromo-3-heptylcyclopentane
CID 64509382
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-hexylcyclohexane?
The IUPAC name of 1-bromo-4-hexylcyclohexane (CID 157160375) is 1-bromo-4-hexylcyclohexane.
What is the SMILES notation for 1-bromo-4-hexylcyclohexane?
The canonical SMILES for 1-bromo-4-hexylcyclohexane is CCCCCCC1CCC(Br)CC1.
What is the InChIKey of 1-bromo-4-hexylcyclohexane?
The InChIKey is RZLNFQPIUJVRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Br/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h11-12H,2-10H2,1H3.
What are the key properties of 1-bromo-4-hexylcyclohexane?
1-bromo-4-hexylcyclohexane has a molecular weight of 247.22 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-hexylcyclohexane is sourced from PubChem (CID 157160375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).