3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane

C14H25BrO — CID 63473870

IUPAC3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane
SMILESCC1CC(OC2CCCC2Br)CC(C)(C)C1
InChIInChI=1S/C14H25BrO/c1-10-7-11(9-14(2,3)8-10)16-13-6-4-5-12(13)15/h10-13H,4-9H2,1-3H3
InChIKeyRMUHJAFJRBVFMM-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.53
Rot. Bonds2

About 3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane

3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane (PubChem CID 63473870) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane.

Molecular Properties

Compound Name3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane
PubChem CID63473870
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane
SMILESCC1CC(OC2CCCC2Br)CC(C)(C)C1
InChIInChI=1S/C14H25BrO/c1-10-7-11(9-14(2,3)8-10)16-13-6-4-5-12(13)15/h10-13H,4-9H2,1-3H3
InChIKeyRMUHJAFJRBVFMM-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane?
The IUPAC name of 3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane (CID 63473870) is 3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane.
What is the SMILES notation for 3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane?
The canonical SMILES for 3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane is CC1CC(OC2CCCC2Br)CC(C)(C)C1.
What is the InChIKey of 3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane?
The InChIKey is RMUHJAFJRBVFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO/c1-10-7-11(9-14(2,3)8-10)16-13-6-4-5-12(13)15/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane?
3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane has a molecular weight of 289.26 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromocyclopentyl)oxy-1,1,5-trimethylcyclohexane is sourced from PubChem (CID 63473870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).