1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane

C10H19BrO2 — CID 62112037

IUPAC1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane
SMILESCCOCCOC1(CBr)CCCC1
InChIInChI=1S/C10H19BrO2/c1-2-12-7-8-13-10(9-11)5-3-4-6-10/h2-9H2,1H3
InChIKeyGFUIDMKOLZFERX-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.75
Rot. Bonds6

About 1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane

1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane (PubChem CID 62112037) has the molecular formula C10H19BrO2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane
PubChem CID62112037
Molecular FormulaC10H19BrO2
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane
SMILESCCOCCOC1(CBr)CCCC1
InChIInChI=1S/C10H19BrO2/c1-2-12-7-8-13-10(9-11)5-3-4-6-10/h2-9H2,1H3
InChIKeyGFUIDMKOLZFERX-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(bromomethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentane
CID 112589326
2-[1-(2-ethoxyethoxy)cyclobutyl]-N-ethylethanamine
CID 103273067
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789
4-(bromomethyl)-4-(2-butoxyethoxy)oxane
CID 114773270
[1-(3-ethoxypropoxy)cycloheptyl]methanamine
CID 65176333
1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane
CID 70544538
1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane
CID 106204781
1-(bromomethyl)-1-(2-butoxyethoxy)-4-propylcyclohexane
CID 63476016
1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane
CID 165489609
1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane
CID 165493036
1-(bromomethyl)-1-methoxycycloheptane
CID 62113509
[1-(2-ethoxyethoxy)cyclobutyl]-trihydroxyphosphanium
CID 174404591

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane (CID 62112037) is 1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane is CCOCCOC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane?
The InChIKey is GFUIDMKOLZFERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-2-12-7-8-13-10(9-11)5-3-4-6-10/h2-9H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane?
1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane has a molecular weight of 251.16 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane is sourced from PubChem (CID 62112037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).