(2-bromo-1-methoxyethyl)cyclopentane

C8H15BrO — CID 122164136

IUPAC(2-bromo-1-methoxyethyl)cyclopentane
SMILESCOC(CBr)C1CCCC1
InChIInChI=1S/C8H15BrO/c1-10-8(6-9)7-4-2-3-5-7/h7-8H,2-6H2,1H3
InChIKeyLDKRXSVVYQCAFO-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.59
Rot. Bonds3

About (2-bromo-1-methoxyethyl)cyclopentane

(2-bromo-1-methoxyethyl)cyclopentane (PubChem CID 122164136) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is (2-bromo-1-methoxyethyl)cyclopentane.

Molecular Properties

Compound Name(2-bromo-1-methoxyethyl)cyclopentane
PubChem CID122164136
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name(2-bromo-1-methoxyethyl)cyclopentane
SMILESCOC(CBr)C1CCCC1
InChIInChI=1S/C8H15BrO/c1-10-8(6-9)7-4-2-3-5-7/h7-8H,2-6H2,1H3
InChIKeyLDKRXSVVYQCAFO-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-1-methoxyethyl)cyclopentane?
The IUPAC name of (2-bromo-1-methoxyethyl)cyclopentane (CID 122164136) is (2-bromo-1-methoxyethyl)cyclopentane.
What is the SMILES notation for (2-bromo-1-methoxyethyl)cyclopentane?
The canonical SMILES for (2-bromo-1-methoxyethyl)cyclopentane is COC(CBr)C1CCCC1.
What is the InChIKey of (2-bromo-1-methoxyethyl)cyclopentane?
The InChIKey is LDKRXSVVYQCAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c1-10-8(6-9)7-4-2-3-5-7/h7-8H,2-6H2,1H3.
What are the key properties of (2-bromo-1-methoxyethyl)cyclopentane?
(2-bromo-1-methoxyethyl)cyclopentane has a molecular weight of 207.11 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-methoxyethyl)cyclopentane is sourced from PubChem (CID 122164136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).