4-(bromomethyl)-1,1-dimethylcyclohexane

C9H17Br — CID 66469450

IUPAC4-(bromomethyl)-1,1-dimethylcyclohexane
SMILESCC1(C)CCC(CBr)CC1
InChIInChI=1S/C9H17Br/c1-9(2)5-3-8(7-10)4-6-9/h8H,3-7H2,1-2H3
InChIKeyZUZBRSXFMYGTEU-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.60
Rot. Bonds1

About 4-(bromomethyl)-1,1-dimethylcyclohexane

4-(bromomethyl)-1,1-dimethylcyclohexane (PubChem CID 66469450) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 4-(bromomethyl)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name4-(bromomethyl)-1,1-dimethylcyclohexane
PubChem CID66469450
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name4-(bromomethyl)-1,1-dimethylcyclohexane
SMILESCC1(C)CCC(CBr)CC1
InChIInChI=1S/C9H17Br/c1-9(2)5-3-8(7-10)4-6-9/h8H,3-7H2,1-2H3
InChIKeyZUZBRSXFMYGTEU-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1,1-dimethylcyclohexane?
The IUPAC name of 4-(bromomethyl)-1,1-dimethylcyclohexane (CID 66469450) is 4-(bromomethyl)-1,1-dimethylcyclohexane.
What is the SMILES notation for 4-(bromomethyl)-1,1-dimethylcyclohexane?
The canonical SMILES for 4-(bromomethyl)-1,1-dimethylcyclohexane is CC1(C)CCC(CBr)CC1.
What is the InChIKey of 4-(bromomethyl)-1,1-dimethylcyclohexane?
The InChIKey is ZUZBRSXFMYGTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-9(2)5-3-8(7-10)4-6-9/h8H,3-7H2,1-2H3.
What are the key properties of 4-(bromomethyl)-1,1-dimethylcyclohexane?
4-(bromomethyl)-1,1-dimethylcyclohexane has a molecular weight of 205.14 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1,1-dimethylcyclohexane is sourced from PubChem (CID 66469450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).