1-(bromomethyl)-5,5,6-trimethylcyclohexene

C10H17Br — CID 130003824

IUPAC1-(bromomethyl)-5,5,6-trimethylcyclohexene
SMILESCC1C(CBr)=CCCC1(C)C
InChIInChI=1S/C10H17Br/c1-8-9(7-11)5-4-6-10(8,2)3/h5,8H,4,6-7H2,1-3H3
InChIKeyFMRICLHIEGWZHL-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.76
Rot. Bonds1

About 1-(bromomethyl)-5,5,6-trimethylcyclohexene

1-(bromomethyl)-5,5,6-trimethylcyclohexene (PubChem CID 130003824) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 1-(bromomethyl)-5,5,6-trimethylcyclohexene.

Molecular Properties

Compound Name1-(bromomethyl)-5,5,6-trimethylcyclohexene
PubChem CID130003824
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name1-(bromomethyl)-5,5,6-trimethylcyclohexene
SMILESCC1C(CBr)=CCCC1(C)C
InChIInChI=1S/C10H17Br/c1-8-9(7-11)5-4-6-10(8,2)3/h5,8H,4,6-7H2,1-3H3
InChIKeyFMRICLHIEGWZHL-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.76
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)-5,5,6-trimethylcyclohexene?
The IUPAC name of 1-(bromomethyl)-5,5,6-trimethylcyclohexene (CID 130003824) is 1-(bromomethyl)-5,5,6-trimethylcyclohexene.
What is the SMILES notation for 1-(bromomethyl)-5,5,6-trimethylcyclohexene?
The canonical SMILES for 1-(bromomethyl)-5,5,6-trimethylcyclohexene is CC1C(CBr)=CCCC1(C)C.
What is the InChIKey of 1-(bromomethyl)-5,5,6-trimethylcyclohexene?
The InChIKey is FMRICLHIEGWZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-8-9(7-11)5-4-6-10(8,2)3/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 1-(bromomethyl)-5,5,6-trimethylcyclohexene?
1-(bromomethyl)-5,5,6-trimethylcyclohexene has a molecular weight of 217.15 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-5,5,6-trimethylcyclohexene is sourced from PubChem (CID 130003824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).