9-bromononan-1-ol;oxane

C14H29BrO2 — CID 175312868

IUPAC9-bromononan-1-ol;oxane
SMILESC1CCOCC1.OCCCCCCCCCBr
InChIInChI=1S/C9H19BrO.C5H10O/c10-8-6-4-2-1-3-5-7-9-11;1-2-4-6-5-3-1/h11H,1-9H2;1-5H2
InChIKeyXXSJUBHBZVPTEE-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.29
Rot. Bonds8

About 9-bromononan-1-ol;oxane

9-bromononan-1-ol;oxane (PubChem CID 175312868) has the molecular formula C14H29BrO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 9-bromononan-1-ol;oxane.

Molecular Properties

Compound Name9-bromononan-1-ol;oxane
PubChem CID175312868
Molecular FormulaC14H29BrO2
Molecular Weight309.29 g/mol
Exact Mass308.14
IUPAC Name9-bromononan-1-ol;oxane
SMILESC1CCOCC1.OCCCCCCCCCBr
InChIInChI=1S/C9H19BrO.C5H10O/c10-8-6-4-2-1-3-5-7-9-11;1-2-4-6-5-3-1/h11H,1-9H2;1-5H2
InChIKeyXXSJUBHBZVPTEE-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.29
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'}

Analyze 9-bromononan-1-ol;oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-bromononan-1-ol;oxane?
The IUPAC name of 9-bromononan-1-ol;oxane (CID 175312868) is 9-bromononan-1-ol;oxane.
What is the SMILES notation for 9-bromononan-1-ol;oxane?
The canonical SMILES for 9-bromononan-1-ol;oxane is C1CCOCC1.OCCCCCCCCCBr.
What is the InChIKey of 9-bromononan-1-ol;oxane?
The InChIKey is XXSJUBHBZVPTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrO.C5H10O/c10-8-6-4-2-1-3-5-7-9-11;1-2-4-6-5-3-1/h11H,1-9H2;1-5H2.
What are the key properties of 9-bromononan-1-ol;oxane?
9-bromononan-1-ol;oxane has a molecular weight of 309.29 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromononan-1-ol;oxane is sourced from PubChem (CID 175312868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).