1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane

C14H25Br — CID 64908387

IUPAC1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane
SMILESCCC1CCCCC1C1CCC(Br)C1C
InChIInChI=1S/C14H25Br/c1-3-11-6-4-5-7-13(11)12-8-9-14(15)10(12)2/h10-14H,3-9H2,1-2H3
InChIKeyZVTFIUAFSFOLDS-UHFFFAOYSA-N
MW273.26 g/mol
LogP5.01
Rot. Bonds2

About 1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane

1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane (PubChem CID 64908387) has the molecular formula C14H25Br and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane.

Molecular Properties

Compound Name1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane
PubChem CID64908387
Molecular FormulaC14H25Br
Molecular Weight273.26 g/mol
Exact Mass272.11
IUPAC Name1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane
SMILESCCC1CCCCC1C1CCC(Br)C1C
InChIInChI=1S/C14H25Br/c1-3-11-6-4-5-7-13(11)12-8-9-14(15)10(12)2/h10-14H,3-9H2,1-2H3
InChIKeyZVTFIUAFSFOLDS-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.26
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane?
The IUPAC name of 1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane (CID 64908387) is 1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane.
What is the SMILES notation for 1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane?
The canonical SMILES for 1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane is CCC1CCCCC1C1CCC(Br)C1C.
What is the InChIKey of 1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane?
The InChIKey is ZVTFIUAFSFOLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25Br/c1-3-11-6-4-5-7-13(11)12-8-9-14(15)10(12)2/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane?
1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane has a molecular weight of 273.26 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylcyclopentyl)-2-ethylcyclohexane is sourced from PubChem (CID 64908387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).