5-(bromomethyl)-2,2,6-trimethylheptane

C11H23Br — CID 66043444

IUPAC5-(bromomethyl)-2,2,6-trimethylheptane
SMILESCC(C)C(CBr)CCC(C)(C)C
InChIInChI=1S/C11H23Br/c1-9(2)10(8-12)6-7-11(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyJLVOWUYCIQLOHE-UHFFFAOYSA-N
MW235.21 g/mol
LogP4.48
Rot. Bonds4

About 5-(bromomethyl)-2,2,6-trimethylheptane

5-(bromomethyl)-2,2,6-trimethylheptane (PubChem CID 66043444) has the molecular formula C11H23Br and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-(bromomethyl)-2,2,6-trimethylheptane.

Molecular Properties

Compound Name5-(bromomethyl)-2,2,6-trimethylheptane
PubChem CID66043444
Molecular FormulaC11H23Br
Molecular Weight235.21 g/mol
Exact Mass234.10
IUPAC Name5-(bromomethyl)-2,2,6-trimethylheptane
SMILESCC(C)C(CBr)CCC(C)(C)C
InChIInChI=1S/C11H23Br/c1-9(2)10(8-12)6-7-11(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyJLVOWUYCIQLOHE-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 54.48
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 5-(bromomethyl)-2,2,6-trimethylheptane?
The IUPAC name of 5-(bromomethyl)-2,2,6-trimethylheptane (CID 66043444) is 5-(bromomethyl)-2,2,6-trimethylheptane.
What is the SMILES notation for 5-(bromomethyl)-2,2,6-trimethylheptane?
The canonical SMILES for 5-(bromomethyl)-2,2,6-trimethylheptane is CC(C)C(CBr)CCC(C)(C)C.
What is the InChIKey of 5-(bromomethyl)-2,2,6-trimethylheptane?
The InChIKey is JLVOWUYCIQLOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Br/c1-9(2)10(8-12)6-7-11(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 5-(bromomethyl)-2,2,6-trimethylheptane?
5-(bromomethyl)-2,2,6-trimethylheptane has a molecular weight of 235.21 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2,2,6-trimethylheptane is sourced from PubChem (CID 66043444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).