1-(2-bromoethoxy)pentane

C7H15BrO — CID 20508525

IUPAC1-(2-bromoethoxy)pentane
SMILESCCCCCOCCBr
InChIInChI=1S/C7H15BrO/c1-2-3-4-6-9-7-5-8/h2-7H2,1H3
InChIKeyNLSQTAPVYFQSHD-UHFFFAOYSA-N
MW195.10 g/mol
LogP2.59
Rot. Bonds6

About 1-(2-bromoethoxy)pentane

1-(2-bromoethoxy)pentane (PubChem CID 20508525) has the molecular formula C7H15BrO and a molecular weight of 195.10 g/mol. Its IUPAC name is 1-(2-bromoethoxy)pentane.

Molecular Properties

Compound Name1-(2-bromoethoxy)pentane
PubChem CID20508525
Molecular FormulaC7H15BrO
Molecular Weight195.10 g/mol
Exact Mass194.03
IUPAC Name1-(2-bromoethoxy)pentane
SMILESCCCCCOCCBr
InChIInChI=1S/C7H15BrO/c1-2-3-4-6-9-7-5-8/h2-7H2,1H3
InChIKeyNLSQTAPVYFQSHD-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)pentane?
The IUPAC name of 1-(2-bromoethoxy)pentane (CID 20508525) is 1-(2-bromoethoxy)pentane.
What is the SMILES notation for 1-(2-bromoethoxy)pentane?
The canonical SMILES for 1-(2-bromoethoxy)pentane is CCCCCOCCBr.
What is the InChIKey of 1-(2-bromoethoxy)pentane?
The InChIKey is NLSQTAPVYFQSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO/c1-2-3-4-6-9-7-5-8/h2-7H2,1H3.
What are the key properties of 1-(2-bromoethoxy)pentane?
1-(2-bromoethoxy)pentane has a molecular weight of 195.10 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)pentane is sourced from PubChem (CID 20508525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).