1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane

C14H25BrO — CID 63470245

IUPAC1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane
SMILESCCC1CCCCC1OC1CCCCC1Br
InChIInChI=1S/C14H25BrO/c1-2-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h11-14H,2-10H2,1H3
InChIKeyWRBPTSLTLPTVQD-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.68
Rot. Bonds3

About 1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane

1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane (PubChem CID 63470245) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane.

Molecular Properties

Compound Name1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane
PubChem CID63470245
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane
SMILESCCC1CCCCC1OC1CCCCC1Br
InChIInChI=1S/C14H25BrO/c1-2-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h11-14H,2-10H2,1H3
InChIKeyWRBPTSLTLPTVQD-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.68
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 1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane?
The IUPAC name of 1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane (CID 63470245) is 1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane.
What is the SMILES notation for 1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane?
The canonical SMILES for 1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane is CCC1CCCCC1OC1CCCCC1Br.
What is the InChIKey of 1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane?
The InChIKey is WRBPTSLTLPTVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO/c1-2-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h11-14H,2-10H2,1H3.
What are the key properties of 1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane?
1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane has a molecular weight of 289.26 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-ethylcyclohexyl)oxycyclohexane is sourced from PubChem (CID 63470245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).