1-(bromomethyl)-3,3-dimethylcyclohexene

C9H15Br — CID 14298041

IUPAC1-(bromomethyl)-3,3-dimethylcyclohexene
SMILESCC1(C)C=C(CBr)CCC1
InChIInChI=1S/C9H15Br/c1-9(2)5-3-4-8(6-9)7-10/h6H,3-5,7H2,1-2H3
InChIKeyIKNCBWRROGDKRH-UHFFFAOYSA-N
MW203.12 g/mol
LogP3.52
Rot. Bonds1

About 1-(bromomethyl)-3,3-dimethylcyclohexene

1-(bromomethyl)-3,3-dimethylcyclohexene (PubChem CID 14298041) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is 1-(bromomethyl)-3,3-dimethylcyclohexene.

Molecular Properties

Compound Name1-(bromomethyl)-3,3-dimethylcyclohexene
PubChem CID14298041
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name1-(bromomethyl)-3,3-dimethylcyclohexene
SMILESCC1(C)C=C(CBr)CCC1
InChIInChI=1S/C9H15Br/c1-9(2)5-3-4-8(6-9)7-10/h6H,3-5,7H2,1-2H3
InChIKeyIKNCBWRROGDKRH-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.52
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-(bromomethyl)-3,3-dimethylcyclohexene?
The IUPAC name of 1-(bromomethyl)-3,3-dimethylcyclohexene (CID 14298041) is 1-(bromomethyl)-3,3-dimethylcyclohexene.
What is the SMILES notation for 1-(bromomethyl)-3,3-dimethylcyclohexene?
The canonical SMILES for 1-(bromomethyl)-3,3-dimethylcyclohexene is CC1(C)C=C(CBr)CCC1.
What is the InChIKey of 1-(bromomethyl)-3,3-dimethylcyclohexene?
The InChIKey is IKNCBWRROGDKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br/c1-9(2)5-3-4-8(6-9)7-10/h6H,3-5,7H2,1-2H3.
What are the key properties of 1-(bromomethyl)-3,3-dimethylcyclohexene?
1-(bromomethyl)-3,3-dimethylcyclohexene has a molecular weight of 203.12 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3,3-dimethylcyclohexene is sourced from PubChem (CID 14298041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).