1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane

C12H23Br — CID 79298120

IUPAC1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane
SMILESCCC1CCC(C(Br)C(C)C)CC1
InChIInChI=1S/C12H23Br/c1-4-10-5-7-11(8-6-10)12(13)9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyLOMIMCAGQOGKIQ-UHFFFAOYSA-N
MW247.22 g/mol
LogP4.62
Rot. Bonds3

About 1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane

1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane (PubChem CID 79298120) has the molecular formula C12H23Br and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane
PubChem CID79298120
Molecular FormulaC12H23Br
Molecular Weight247.22 g/mol
Exact Mass246.10
IUPAC Name1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane
SMILESCCC1CCC(C(Br)C(C)C)CC1
InChIInChI=1S/C12H23Br/c1-4-10-5-7-11(8-6-10)12(13)9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyLOMIMCAGQOGKIQ-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromo-2-methylpropyl)-4-ethylcycloheptane
CID 79298349
1-(1-bromoethyl)-3-ethylcyclopentane
CID 66470468
(1-bromo-2-methylpropyl)cyclododecane
CID 79298781
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane
CID 143189115
1-(1,3-dibromopropyl)-4-ethylcyclohexane
CID 143189169
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1-(3-ethylcyclopentyl)ethanamine
CID 65411210
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298507

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane?
The IUPAC name of 1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane (CID 79298120) is 1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane.
What is the SMILES notation for 1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane?
The canonical SMILES for 1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane is CCC1CCC(C(Br)C(C)C)CC1.
What is the InChIKey of 1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane?
The InChIKey is LOMIMCAGQOGKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Br/c1-4-10-5-7-11(8-6-10)12(13)9(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane?
1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane has a molecular weight of 247.22 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane is sourced from PubChem (CID 79298120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).