6-bromohexoxymethylcyclohexane

C13H25BrO — CID 19987560

IUPAC6-bromohexoxymethylcyclohexane
SMILESBrCCCCCCOCC1CCCCC1
InChIInChI=1S/C13H25BrO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h13H,1-12H2
InChIKeyYCWMCGBINJDYIY-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.54
Rot. Bonds8

About 6-bromohexoxymethylcyclohexane

6-bromohexoxymethylcyclohexane (PubChem CID 19987560) has the molecular formula C13H25BrO and a molecular weight of 277.25 g/mol. Its IUPAC name is 6-bromohexoxymethylcyclohexane.

Molecular Properties

Compound Name6-bromohexoxymethylcyclohexane
PubChem CID19987560
Molecular FormulaC13H25BrO
Molecular Weight277.25 g/mol
Exact Mass276.11
IUPAC Name6-bromohexoxymethylcyclohexane
SMILESBrCCCCCCOCC1CCCCC1
InChIInChI=1S/C13H25BrO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h13H,1-12H2
InChIKeyYCWMCGBINJDYIY-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.54
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 6-bromohexoxymethylcyclohexane?
The IUPAC name of 6-bromohexoxymethylcyclohexane (CID 19987560) is 6-bromohexoxymethylcyclohexane.
What is the SMILES notation for 6-bromohexoxymethylcyclohexane?
The canonical SMILES for 6-bromohexoxymethylcyclohexane is BrCCCCCCOCC1CCCCC1.
What is the InChIKey of 6-bromohexoxymethylcyclohexane?
The InChIKey is YCWMCGBINJDYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h13H,1-12H2.
What are the key properties of 6-bromohexoxymethylcyclohexane?
6-bromohexoxymethylcyclohexane has a molecular weight of 277.25 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohexoxymethylcyclohexane is sourced from PubChem (CID 19987560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).