4,4-bis(bromomethyl)-2,6-dimethylheptane

C11H22Br2 — CID 79453294

IUPAC4,4-bis(bromomethyl)-2,6-dimethylheptane
SMILESCC(C)CC(CBr)(CBr)CC(C)C
InChIInChI=1S/C11H22Br2/c1-9(2)5-11(7-12,8-13)6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyRMSPCEJKVMHZGW-UHFFFAOYSA-N
MW314.11 g/mol
LogP4.85
Rot. Bonds6

About 4,4-bis(bromomethyl)-2,6-dimethylheptane

4,4-bis(bromomethyl)-2,6-dimethylheptane (PubChem CID 79453294) has the molecular formula C11H22Br2 and a molecular weight of 314.11 g/mol. Its IUPAC name is 4,4-bis(bromomethyl)-2,6-dimethylheptane.

Molecular Properties

Compound Name4,4-bis(bromomethyl)-2,6-dimethylheptane
PubChem CID79453294
Molecular FormulaC11H22Br2
Molecular Weight314.11 g/mol
Exact Mass312.01
IUPAC Name4,4-bis(bromomethyl)-2,6-dimethylheptane
SMILESCC(C)CC(CBr)(CBr)CC(C)C
InChIInChI=1S/C11H22Br2/c1-9(2)5-11(7-12,8-13)6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyRMSPCEJKVMHZGW-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 54.85
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 4,4-bis(bromomethyl)-2,6-dimethylheptane?
The IUPAC name of 4,4-bis(bromomethyl)-2,6-dimethylheptane (CID 79453294) is 4,4-bis(bromomethyl)-2,6-dimethylheptane.
What is the SMILES notation for 4,4-bis(bromomethyl)-2,6-dimethylheptane?
The canonical SMILES for 4,4-bis(bromomethyl)-2,6-dimethylheptane is CC(C)CC(CBr)(CBr)CC(C)C.
What is the InChIKey of 4,4-bis(bromomethyl)-2,6-dimethylheptane?
The InChIKey is RMSPCEJKVMHZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Br2/c1-9(2)5-11(7-12,8-13)6-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 4,4-bis(bromomethyl)-2,6-dimethylheptane?
4,4-bis(bromomethyl)-2,6-dimethylheptane has a molecular weight of 314.11 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(bromomethyl)-2,6-dimethylheptane is sourced from PubChem (CID 79453294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).