1-(bromomethyl)-4-ethylcyclohexane

C9H17Br — CID 15217371

IUPAC1-(bromomethyl)-4-ethylcyclohexane
SMILESCCC1CCC(CBr)CC1
InChIInChI=1S/C9H17Br/c1-2-8-3-5-9(7-10)6-4-8/h8-9H,2-7H2,1H3
InChIKeyGTTAKDFRWSHWKT-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.60
Rot. Bonds2

About 1-(bromomethyl)-4-ethylcyclohexane

1-(bromomethyl)-4-ethylcyclohexane (PubChem CID 15217371) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 1-(bromomethyl)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-4-ethylcyclohexane
PubChem CID15217371
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name1-(bromomethyl)-4-ethylcyclohexane
SMILESCCC1CCC(CBr)CC1
InChIInChI=1S/C9H17Br/c1-2-8-3-5-9(7-10)6-4-8/h8-9H,2-7H2,1H3
InChIKeyGTTAKDFRWSHWKT-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.60
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-(bromomethyl)-4-ethylcyclohexane?
The IUPAC name of 1-(bromomethyl)-4-ethylcyclohexane (CID 15217371) is 1-(bromomethyl)-4-ethylcyclohexane.
What is the SMILES notation for 1-(bromomethyl)-4-ethylcyclohexane?
The canonical SMILES for 1-(bromomethyl)-4-ethylcyclohexane is CCC1CCC(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-4-ethylcyclohexane?
The InChIKey is GTTAKDFRWSHWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-2-8-3-5-9(7-10)6-4-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-(bromomethyl)-4-ethylcyclohexane?
1-(bromomethyl)-4-ethylcyclohexane has a molecular weight of 205.14 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-ethylcyclohexane is sourced from PubChem (CID 15217371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).