1-(bromomethyl)-2-methoxycyclopentane

C7H13BrO — CID 162342426

IUPAC1-(bromomethyl)-2-methoxycyclopentane
SMILESCOC1CCCC1CBr
InChIInChI=1S/C7H13BrO/c1-9-7-4-2-3-6(7)5-8/h6-7H,2-5H2,1H3
InChIKeyDGPFLAUOZBVWOH-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.20
Rot. Bonds2

About 1-(bromomethyl)-2-methoxycyclopentane

1-(bromomethyl)-2-methoxycyclopentane (PubChem CID 162342426) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 1-(bromomethyl)-2-methoxycyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-2-methoxycyclopentane
PubChem CID162342426
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name1-(bromomethyl)-2-methoxycyclopentane
SMILESCOC1CCCC1CBr
InChIInChI=1S/C7H13BrO/c1-9-7-4-2-3-6(7)5-8/h6-7H,2-5H2,1H3
InChIKeyDGPFLAUOZBVWOH-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.20
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 1-(bromomethyl)-2-methoxycyclopentane?
The IUPAC name of 1-(bromomethyl)-2-methoxycyclopentane (CID 162342426) is 1-(bromomethyl)-2-methoxycyclopentane.
What is the SMILES notation for 1-(bromomethyl)-2-methoxycyclopentane?
The canonical SMILES for 1-(bromomethyl)-2-methoxycyclopentane is COC1CCCC1CBr.
What is the InChIKey of 1-(bromomethyl)-2-methoxycyclopentane?
The InChIKey is DGPFLAUOZBVWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c1-9-7-4-2-3-6(7)5-8/h6-7H,2-5H2,1H3.
What are the key properties of 1-(bromomethyl)-2-methoxycyclopentane?
1-(bromomethyl)-2-methoxycyclopentane has a molecular weight of 193.08 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-methoxycyclopentane is sourced from PubChem (CID 162342426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).