1-(2-bromoethyl)-4-propylidenecyclohexane

C11H19Br — CID 18787862

IUPAC1-(2-bromoethyl)-4-propylidenecyclohexane
SMILESCCC=C1CCC(CCBr)CC1
InChIInChI=1S/C11H19Br/c1-2-3-10-4-6-11(7-5-10)8-9-12/h3,11H,2,4-9H2,1H3/b10-3-
InChIKeyITPZTKVABQZMEK-KMKOMSMNSA-N
MW231.18 g/mol
LogP4.30
Rot. Bonds3

About 1-(2-bromoethyl)-4-propylidenecyclohexane

1-(2-bromoethyl)-4-propylidenecyclohexane (PubChem CID 18787862) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-propylidenecyclohexane.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-propylidenecyclohexane
PubChem CID18787862
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name1-(2-bromoethyl)-4-propylidenecyclohexane
SMILESCCC=C1CCC(CCBr)CC1
InChIInChI=1S/C11H19Br/c1-2-3-10-4-6-11(7-5-10)8-9-12/h3,11H,2,4-9H2,1H3/b10-3-
InChIKeyITPZTKVABQZMEK-KMKOMSMNSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-propylidenecyclohexane?
The IUPAC name of 1-(2-bromoethyl)-4-propylidenecyclohexane (CID 18787862) is 1-(2-bromoethyl)-4-propylidenecyclohexane.
What is the SMILES notation for 1-(2-bromoethyl)-4-propylidenecyclohexane?
The canonical SMILES for 1-(2-bromoethyl)-4-propylidenecyclohexane is CCC=C1CCC(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-propylidenecyclohexane?
The InChIKey is ITPZTKVABQZMEK-KMKOMSMNSA-N. The full InChI is InChI=1S/C11H19Br/c1-2-3-10-4-6-11(7-5-10)8-9-12/h3,11H,2,4-9H2,1H3/b10-3-.
What are the key properties of 1-(2-bromoethyl)-4-propylidenecyclohexane?
1-(2-bromoethyl)-4-propylidenecyclohexane has a molecular weight of 231.18 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-propylidenecyclohexane is sourced from PubChem (CID 18787862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).