5-(2-bromoethoxy)pentan-1-ol

C7H15BrO2 — CID 87396378

IUPAC5-(2-bromoethoxy)pentan-1-ol
SMILESOCCCCCOCCBr
InChIInChI=1S/C7H15BrO2/c8-4-7-10-6-3-1-2-5-9/h9H,1-7H2
InChIKeyPSCVLFPNNXNJSA-UHFFFAOYSA-N
MW211.10 g/mol
LogP1.56
Rot. Bonds7

About 5-(2-bromoethoxy)pentan-1-ol

5-(2-bromoethoxy)pentan-1-ol (PubChem CID 87396378) has the molecular formula C7H15BrO2 and a molecular weight of 211.10 g/mol. Its IUPAC name is 5-(2-bromoethoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(2-bromoethoxy)pentan-1-ol
PubChem CID87396378
Molecular FormulaC7H15BrO2
Molecular Weight211.10 g/mol
Exact Mass210.03
IUPAC Name5-(2-bromoethoxy)pentan-1-ol
SMILESOCCCCCOCCBr
InChIInChI=1S/C7H15BrO2/c8-4-7-10-6-3-1-2-5-9/h9H,1-7H2
InChIKeyPSCVLFPNNXNJSA-UHFFFAOYSA-N
XLogP1.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 51.56
H-Bond Donors ≤ 51
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

4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516
12-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecan-1-ol
CID 134883585
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]pentan-1-ol
CID 87403032
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol
CID 157347530
1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159080030
5-(hydroxymethoxy)pentan-1-ol
CID 54230707
9-nonoxynonan-1-ol
CID 57318642
1-(2-bromoethoxy)nonane
CID 59341239
5-octoxypentan-1-ol
CID 22407981

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethoxy)pentan-1-ol?
The IUPAC name of 5-(2-bromoethoxy)pentan-1-ol (CID 87396378) is 5-(2-bromoethoxy)pentan-1-ol.
What is the SMILES notation for 5-(2-bromoethoxy)pentan-1-ol?
The canonical SMILES for 5-(2-bromoethoxy)pentan-1-ol is OCCCCCOCCBr.
What is the InChIKey of 5-(2-bromoethoxy)pentan-1-ol?
The InChIKey is PSCVLFPNNXNJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO2/c8-4-7-10-6-3-1-2-5-9/h9H,1-7H2.
What are the key properties of 5-(2-bromoethoxy)pentan-1-ol?
5-(2-bromoethoxy)pentan-1-ol has a molecular weight of 211.10 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethoxy)pentan-1-ol is sourced from PubChem (CID 87396378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).