8-bromooctan-1-ol;oxane

C13H27BrO2 — CID 174689530

IUPAC8-bromooctan-1-ol;oxane
SMILESC1CCOCC1.OCCCCCCCCBr
InChIInChI=1S/C8H17BrO.C5H10O/c9-7-5-3-1-2-4-6-8-10;1-2-4-6-5-3-1/h10H,1-8H2;1-5H2
InChIKeyMJFSBJXHGTZDFG-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.90
Rot. Bonds7

About 8-bromooctan-1-ol;oxane

8-bromooctan-1-ol;oxane (PubChem CID 174689530) has the molecular formula C13H27BrO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 8-bromooctan-1-ol;oxane.

Molecular Properties

Compound Name8-bromooctan-1-ol;oxane
PubChem CID174689530
Molecular FormulaC13H27BrO2
Molecular Weight295.26 g/mol
Exact Mass294.12
IUPAC Name8-bromooctan-1-ol;oxane
SMILESC1CCOCC1.OCCCCCCCCBr
InChIInChI=1S/C8H17BrO.C5H10O/c9-7-5-3-1-2-4-6-8-10;1-2-4-6-5-3-1/h10H,1-8H2;1-5H2
InChIKeyMJFSBJXHGTZDFG-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.90
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

9-bromononan-1-ol;oxane
CID 175312868
16-bromohexadecan-1-ol
CID 2757013
decan-1-ol;oxolane;hydrate
CID 174935070
dodecan-1-ol;methanol;oxolane
CID 174811054
butan-1-ol;oxolane;hydrate
CID 68989617
ethanol;oxane
CID 68981478
ethane-1,2-diol;ethene;oxolane
CID 135319346
3-bromopropan-1-ol
CID 159919052
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508

Frequently Asked Questions

What is the IUPAC name of 8-bromooctan-1-ol;oxane?
The IUPAC name of 8-bromooctan-1-ol;oxane (CID 174689530) is 8-bromooctan-1-ol;oxane.
What is the SMILES notation for 8-bromooctan-1-ol;oxane?
The canonical SMILES for 8-bromooctan-1-ol;oxane is C1CCOCC1.OCCCCCCCCBr.
What is the InChIKey of 8-bromooctan-1-ol;oxane?
The InChIKey is MJFSBJXHGTZDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrO.C5H10O/c9-7-5-3-1-2-4-6-8-10;1-2-4-6-5-3-1/h10H,1-8H2;1-5H2.
What are the key properties of 8-bromooctan-1-ol;oxane?
8-bromooctan-1-ol;oxane has a molecular weight of 295.26 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromooctan-1-ol;oxane is sourced from PubChem (CID 174689530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).