2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane

C14H25BrO — CID 65166473

IUPAC2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane
SMILESCCC1CCC(Br)C(CCC2CCCO2)C1
InChIInChI=1S/C14H25BrO/c1-2-11-5-8-14(15)12(10-11)6-7-13-4-3-9-16-13/h11-14H,2-10H2,1H3
InChIKeyONFLHNLPRZZGLL-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.54
Rot. Bonds4

About 2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane

2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane (PubChem CID 65166473) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane
PubChem CID65166473
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane
SMILESCCC1CCC(Br)C(CCC2CCCO2)C1
InChIInChI=1S/C14H25BrO/c1-2-11-5-8-14(15)12(10-11)6-7-13-4-3-9-16-13/h11-14H,2-10H2,1H3
InChIKeyONFLHNLPRZZGLL-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane
CID 65165540
4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexan-1-ol
CID 65166209
2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane
CID 65165949
1-bromo-4-ethyl-2-pentylcyclohexane
CID 63472989
N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine
CID 81031337
4-ethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 62610434
2-[2-(3-bromocyclohexyl)ethyl]oxolane
CID 65165148
2-(oxolan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 62550015
1-bromo-4-ethyl-2-(4-methoxybutyl)cyclohexane
CID 104649056
(2R)-2-ethyloxolane
CID 641529
azane;2-ethyloxolane
CID 174465001
N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62609986

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane?
The IUPAC name of 2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane (CID 65166473) is 2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane.
What is the SMILES notation for 2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane?
The canonical SMILES for 2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane is CCC1CCC(Br)C(CCC2CCCO2)C1.
What is the InChIKey of 2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane?
The InChIKey is ONFLHNLPRZZGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO/c1-2-11-5-8-14(15)12(10-11)6-7-13-4-3-9-16-13/h11-14H,2-10H2,1H3.
What are the key properties of 2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane?
2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane has a molecular weight of 289.26 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane is sourced from PubChem (CID 65166473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).