2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane

C12H21BrO — CID 65165540

IUPAC2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane
SMILESCC1C(Br)CCC1CCC1CCCO1
InChIInChI=1S/C12H21BrO/c1-9-10(5-7-12(9)13)4-6-11-3-2-8-14-11/h9-12H,2-8H2,1H3
InChIKeyHXKQVVZENKZLNJ-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.76
Rot. Bonds3

About 2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane

2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane (PubChem CID 65165540) has the molecular formula C12H21BrO and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane
PubChem CID65165540
Molecular FormulaC12H21BrO
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane
SMILESCC1C(Br)CCC1CCC1CCCO1
InChIInChI=1S/C12H21BrO/c1-9-10(5-7-12(9)13)4-6-11-3-2-8-14-11/h9-12H,2-8H2,1H3
InChIKeyHXKQVVZENKZLNJ-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(3-bromo-2-methylcyclopentyl)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-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane
CID 65166473
[4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine
CID 81012372
2-methyl-3-[2-(oxolan-2-yl)ethyl]cyclopentan-1-one
CID 65165695
N-methyl-1-[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methanamine
CID 81034767
2-methyl-3-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64909404
2-(3-bromopropyl)oxolane
CID 15783712
2-[2-(3-bromocyclohexyl)ethyl]oxolane
CID 65165148
2-[(2-bromocycloheptyl)methyl]oxolane
CID 62550191
N-[[2-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
CID 81025758
N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine
CID 83196715
2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 102637312
3-ethyl-2-methyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64921005

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane?
The IUPAC name of 2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane (CID 65165540) is 2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane.
What is the SMILES notation for 2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane?
The canonical SMILES for 2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane is CC1C(Br)CCC1CCC1CCCO1.
What is the InChIKey of 2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane?
The InChIKey is HXKQVVZENKZLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO/c1-9-10(5-7-12(9)13)4-6-11-3-2-8-14-11/h9-12H,2-8H2,1H3.
What are the key properties of 2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane?
2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane has a molecular weight of 261.20 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane is sourced from PubChem (CID 65165540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).