5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene

C14H21Br — CID 162713161

IUPAC5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene
SMILESBrCC1CCC(C2CC3C=CC2C3)CC1
InChIInChI=1S/C14H21Br/c15-9-10-1-4-12(5-2-10)14-8-11-3-6-13(14)7-11/h3,6,10-14H,1-2,4-5,7-9H2
InChIKeySVYRGLXCFPHUKL-UHFFFAOYSA-N
MW269.23 g/mol
LogP4.40
Rot. Bonds2

About 5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene

5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 162713161) has the molecular formula C14H21Br and a molecular weight of 269.23 g/mol. Its IUPAC name is 5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene
PubChem CID162713161
Molecular FormulaC14H21Br
Molecular Weight269.23 g/mol
Exact Mass268.08
IUPAC Name5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene
SMILESBrCC1CCC(C2CC3C=CC2C3)CC1
InChIInChI=1S/C14H21Br/c15-9-10-1-4-12(5-2-10)14-8-11-3-6-13(14)7-11/h3,6,10-14H,1-2,4-5,7-9H2
InChIKeySVYRGLXCFPHUKL-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 54.40
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 5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene (CID 162713161) is 5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene is BrCC1CCC(C2CC3C=CC2C3)CC1.
What is the InChIKey of 5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is SVYRGLXCFPHUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br/c15-9-10-1-4-12(5-2-10)14-8-11-3-6-13(14)7-11/h3,6,10-14H,1-2,4-5,7-9H2.
What are the key properties of 5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene?
5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 269.23 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(bromomethyl)cyclohexyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 162713161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).