3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane

C11H21BrO — CID 116540660

IUPAC3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane
SMILESCCOCCCC1(C)CCC(Br)C1
InChIInChI=1S/C11H21BrO/c1-3-13-8-4-6-11(2)7-5-10(12)9-11/h10H,3-9H2,1-2H3
InChIKeyPBANGPIQHKDQRW-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.76
Rot. Bonds5

About 3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane

3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane (PubChem CID 116540660) has the molecular formula C11H21BrO and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane.

Molecular Properties

Compound Name3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane
PubChem CID116540660
Molecular FormulaC11H21BrO
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane
SMILESCCOCCCC1(C)CCC(Br)C1
InChIInChI=1S/C11H21BrO/c1-3-13-8-4-6-11(2)7-5-10(12)9-11/h10H,3-9H2,1-2H3
InChIKeyPBANGPIQHKDQRW-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.76
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

3-chloro-1-(3-ethoxypropyl)-1-methylcyclopentane
CID 116540323
3-bromo-1-but-3-enyl-1-methylcyclopentane
CID 116540764
N-ethyl-3-(4-methoxybutyl)-3-methylcyclopentan-1-amine
CID 116539412
1-butyl-1,3-dimethylcyclopentane
CID 123273889
1-(3-ethoxypropyl)-3-methylcyclohexan-1-amine
CID 65419842
3-[2-(3-bromo-1-methylcyclopentyl)ethyl]thiophene
CID 116540728
1-(3-ethoxypropyl)-3-methylcyclopentane-1-carboxylic acid
CID 65401094
2-[(3-bromo-1-methylcyclopentyl)methyl]-1,3-difluorobenzene
CID 114934515
[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine
CID 65393494
1-(2-ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
1-bromo-3-(3-ethoxypropyl)cycloheptane
CID 65177683
4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene
CID 116540815

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane?
The IUPAC name of 3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane (CID 116540660) is 3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane.
What is the SMILES notation for 3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane?
The canonical SMILES for 3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane is CCOCCCC1(C)CCC(Br)C1.
What is the InChIKey of 3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane?
The InChIKey is PBANGPIQHKDQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO/c1-3-13-8-4-6-11(2)7-5-10(12)9-11/h10H,3-9H2,1-2H3.
What are the key properties of 3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane?
3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane has a molecular weight of 249.19 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-ethoxypropyl)-1-methylcyclopentane is sourced from PubChem (CID 116540660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).