(2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane

C11H19Br — CID 163676212

IUPAC(2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane
SMILESC/C=C1/CC(C)CCCC1CBr
InChIInChI=1S/C11H19Br/c1-3-10-7-9(2)5-4-6-11(10)8-12/h3,9,11H,4-8H2,1-2H3/b10-3-
InChIKeyJGXSWKFTEBBYDJ-KMKOMSMNSA-N
MW231.18 g/mol
LogP4.15
Rot. Bonds1

About (2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane

(2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane (PubChem CID 163676212) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is (2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane.

Molecular Properties

Compound Name(2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane
PubChem CID163676212
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name(2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane
SMILESC/C=C1/CC(C)CCCC1CBr
InChIInChI=1S/C11H19Br/c1-3-10-7-9(2)5-4-6-11(10)8-12/h3,9,11H,4-8H2,1-2H3/b10-3-
InChIKeyJGXSWKFTEBBYDJ-KMKOMSMNSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 54.15
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'}

Analyze (2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(2E)-1-ethyl-2-ethylidenecyclopentane
CID 91157114
ethane;methylcyclobutane;propane;prop-1-ene
CID 171536362
cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 159641047
cyclobutane;ethane;methylcyclobutane
CID 158121682
(1E,2S)-1-ethylidene-2-methylcyclohexane
CID 148695286
cyclooctane;methylcyclobutane
CID 159456217
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
(Z)-but-2-ene;ethane;methylcyclopentane
CID 145281333
1-ethylidene-5-methylcyclooctane
CID 20872963
ethane;methylcyclopentane;prop-1-ene
CID 142437781
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane?
The IUPAC name of (2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane (CID 163676212) is (2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane.
What is the SMILES notation for (2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane?
The canonical SMILES for (2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane is C/C=C1/CC(C)CCCC1CBr.
What is the InChIKey of (2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane?
The InChIKey is JGXSWKFTEBBYDJ-KMKOMSMNSA-N. The full InChI is InChI=1S/C11H19Br/c1-3-10-7-9(2)5-4-6-11(10)8-12/h3,9,11H,4-8H2,1-2H3/b10-3-.
What are the key properties of (2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane?
(2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane has a molecular weight of 231.18 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(bromomethyl)-2-ethylidene-4-methylcycloheptane is sourced from PubChem (CID 163676212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).