9,10-dibromodecan-1-ol

C10H20Br2O — CID 14103462

IUPAC9,10-dibromodecan-1-ol
SMILESOCCCCCCCCC(Br)CBr
InChIInChI=1S/C10H20Br2O/c11-9-10(12)7-5-3-1-2-4-6-8-13/h10,13H,1-9H2
InChIKeyBJSFINRBAUPBKA-UHFFFAOYSA-N
MW316.08 g/mol
LogP3.87
Rot. Bonds9

About 9,10-dibromodecan-1-ol

9,10-dibromodecan-1-ol (PubChem CID 14103462) has the molecular formula C10H20Br2O and a molecular weight of 316.08 g/mol. Its IUPAC name is 9,10-dibromodecan-1-ol.

Molecular Properties

Compound Name9,10-dibromodecan-1-ol
PubChem CID14103462
Molecular FormulaC10H20Br2O
Molecular Weight316.08 g/mol
Exact Mass313.99
IUPAC Name9,10-dibromodecan-1-ol
SMILESOCCCCCCCCC(Br)CBr
InChIInChI=1S/C10H20Br2O/c11-9-10(12)7-5-3-1-2-4-6-8-13/h10,13H,1-9H2
InChIKeyBJSFINRBAUPBKA-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.08
LogP ≤ 53.87
H-Bond Donors ≤ 51
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 9,10-dibromodecan-1-ol?
The IUPAC name of 9,10-dibromodecan-1-ol (CID 14103462) is 9,10-dibromodecan-1-ol.
What is the SMILES notation for 9,10-dibromodecan-1-ol?
The canonical SMILES for 9,10-dibromodecan-1-ol is OCCCCCCCCC(Br)CBr.
What is the InChIKey of 9,10-dibromodecan-1-ol?
The InChIKey is BJSFINRBAUPBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Br2O/c11-9-10(12)7-5-3-1-2-4-6-8-13/h10,13H,1-9H2.
What are the key properties of 9,10-dibromodecan-1-ol?
9,10-dibromodecan-1-ol has a molecular weight of 316.08 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibromodecan-1-ol is sourced from PubChem (CID 14103462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).