1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane

C14H25BrO — CID 63468809

IUPAC1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane
SMILESCCC1CCC(CBr)(OC2CCCC2)CC1
InChIInChI=1S/C14H25BrO/c1-2-12-7-9-14(11-15,10-8-12)16-13-5-3-4-6-13/h12-13H,2-11H2,1H3
InChIKeyZBNAHTRPJSMJKB-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.68
Rot. Bonds4

About 1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane

1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane (PubChem CID 63468809) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane
PubChem CID63468809
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane
SMILESCCC1CCC(CBr)(OC2CCCC2)CC1
InChIInChI=1S/C14H25BrO/c1-2-12-7-9-14(11-15,10-8-12)16-13-5-3-4-6-13/h12-13H,2-11H2,1H3
InChIKeyZBNAHTRPJSMJKB-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine
CID 62110904
1-(bromomethyl)-4-tert-butyl-1-cyclohexyloxycyclohexane
CID 55191722
1-(1-cyclobutyloxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62382935
1-(bromomethyl)-1-cyclobutyloxycycloheptane
CID 62381818
1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane
CID 165495011
1-(bromomethyl)-4-tert-butyl-1-cyclobutyloxycyclohexane
CID 63474775
1-(bromomethyl)-1-cyclopropyloxycycloheptane
CID 165489771
1-(bromomethyl)-1-(2-ethylcyclohexyl)oxy-4-propylcyclohexane
CID 63470253
1-(bromomethyl)-4-ethyl-1-heptoxycyclohexane
CID 63475655
1-(bromomethyl)-4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 62107098
1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane
CID 103285066
1-(bromomethyl)-1-(1-ethoxypropan-2-yloxy)-4-ethylcyclohexane
CID 103490005

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane?
The IUPAC name of 1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane (CID 63468809) is 1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane is CCC1CCC(CBr)(OC2CCCC2)CC1.
What is the InChIKey of 1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane?
The InChIKey is ZBNAHTRPJSMJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO/c1-2-12-7-9-14(11-15,10-8-12)16-13-5-3-4-6-13/h12-13H,2-11H2,1H3.
What are the key properties of 1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane?
1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane has a molecular weight of 289.26 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane is sourced from PubChem (CID 63468809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).