1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane

C13H25BrO — CID 104649056

IUPAC1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane
SMILESCCC1CCC(Br)C(CCCCOC)C1
InChIInChI=1S/C13H25BrO/c1-3-11-7-8-13(14)12(10-11)6-4-5-9-15-2/h11-13H,3-10H2,1-2H3
InChIKeyLZHAGNXCFNNPIB-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.39
Rot. Bonds6

About 1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane

1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane (PubChem CID 104649056) has the molecular formula C13H25BrO and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane.

Molecular Properties

Compound Name1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane
PubChem CID104649056
Molecular FormulaC13H25BrO
Molecular Weight277.25 g/mol
Exact Mass276.11
IUPAC Name1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane
SMILESCCC1CCC(Br)C(CCCCOC)C1
InChIInChI=1S/C13H25BrO/c1-3-11-7-8-13(14)12(10-11)6-4-5-9-15-2/h11-13H,3-10H2,1-2H3
InChIKeyLZHAGNXCFNNPIB-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromo-4-ethyl-2-pentylcyclohexane
CID 63472989
1-bromo-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexane
CID 103411900
4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
CID 113436996
4-ethyl-2-(4-methoxybutyl)cyclohexan-1-one
CID 104648314
2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane
CID 65166473
1-bromo-4-tert-butyl-2-[2-(3-methoxypropoxy)ethyl]cyclohexane
CID 103182513
4-ethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 104564608
4-ethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-ol
CID 104565820
1-bromo-2-dodecyl-4-methylcyclohexane
CID 63472034
1-bromo-4-ethyl-2-(2-ethylhexyl)cyclohexane
CID 63472984
4-(8-methoxyoctyl)-1,2-dimethylcyclohexane
CID 143227384
1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene
CID 63473365

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane?
The IUPAC name of 1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane (CID 104649056) is 1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane.
What is the SMILES notation for 1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane?
The canonical SMILES for 1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane is CCC1CCC(Br)C(CCCCOC)C1.
What is the InChIKey of 1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane?
The InChIKey is LZHAGNXCFNNPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO/c1-3-11-7-8-13(14)12(10-11)6-4-5-9-15-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane?
1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane has a molecular weight of 277.25 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane is sourced from PubChem (CID 104649056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).