3-(bromomethyl)-1,1-dimethylcyclohexane

C9H17Br — CID 66469251

IUPAC3-(bromomethyl)-1,1-dimethylcyclohexane
SMILESCC1(C)CCCC(CBr)C1
InChIInChI=1S/C9H17Br/c1-9(2)5-3-4-8(6-9)7-10/h8H,3-7H2,1-2H3
InChIKeyPRSPXBUWKALTAA-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.60
Rot. Bonds1

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

3-(bromomethyl)-1,1-dimethylcyclohexane (PubChem CID 66469251) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 3-(bromomethyl)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name3-(bromomethyl)-1,1-dimethylcyclohexane
PubChem CID66469251
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name3-(bromomethyl)-1,1-dimethylcyclohexane
SMILESCC1(C)CCCC(CBr)C1
InChIInChI=1S/C9H17Br/c1-9(2)5-3-4-8(6-9)7-10/h8H,3-7H2,1-2H3
InChIKeyPRSPXBUWKALTAA-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 3-(bromomethyl)-1,1-dimethylcyclohexane?
The IUPAC name of 3-(bromomethyl)-1,1-dimethylcyclohexane (CID 66469251) is 3-(bromomethyl)-1,1-dimethylcyclohexane.
What is the SMILES notation for 3-(bromomethyl)-1,1-dimethylcyclohexane?
The canonical SMILES for 3-(bromomethyl)-1,1-dimethylcyclohexane is CC1(C)CCCC(CBr)C1.
What is the InChIKey of 3-(bromomethyl)-1,1-dimethylcyclohexane?
The InChIKey is PRSPXBUWKALTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-9(2)5-3-4-8(6-9)7-10/h8H,3-7H2,1-2H3.
What are the key properties of 3-(bromomethyl)-1,1-dimethylcyclohexane?
3-(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 3-(bromomethyl)-1,1-dimethylcyclohexane is sourced from PubChem (CID 66469251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).