1-bromo-2-(bromomethyl)-2,4-dimethylheptane

C10H20Br2 — CID 79453962

IUPAC1-bromo-2-(bromomethyl)-2,4-dimethylheptane
SMILESCCCC(C)CC(C)(CBr)CBr
InChIInChI=1S/C10H20Br2/c1-4-5-9(2)6-10(3,7-11)8-12/h9H,4-8H2,1-3H3
InChIKeyRGYXBLSVNRJELA-UHFFFAOYSA-N
MW300.08 g/mol
LogP4.61
Rot. Bonds6

About 1-bromo-2-(bromomethyl)-2,4-dimethylheptane

1-bromo-2-(bromomethyl)-2,4-dimethylheptane (PubChem CID 79453962) has the molecular formula C10H20Br2 and a molecular weight of 300.08 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-2,4-dimethylheptane.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-2,4-dimethylheptane
PubChem CID79453962
Molecular FormulaC10H20Br2
Molecular Weight300.08 g/mol
Exact Mass297.99
IUPAC Name1-bromo-2-(bromomethyl)-2,4-dimethylheptane
SMILESCCCC(C)CC(C)(CBr)CBr
InChIInChI=1S/C10H20Br2/c1-4-5-9(2)6-10(3,7-11)8-12/h9H,4-8H2,1-3H3
InChIKeyRGYXBLSVNRJELA-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025
ethane;(5R)-3,3,5-trimethyloctane
CID 143538899
(4R,6S)-2,2,4,6-tetramethyl-4-propylnonane
CID 58193630
1,1,1-trichloro-3-methylhexane
CID 23264412
1-chloro-2,2,4-trimethylheptane
CID 66059738
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2,4,6-trimethyl-4-propan-2-ylnonane
CID 90931226
(4S,6S)-2,4,6-trimethylnonane-4-thiol
CID 92951034
3-ethyl-2,5-dimethyloctan-3-amine
CID 62619979
6,10-diethyl-2,6,7,10,12-pentamethylpentadecane
CID 123590734
1-[1-bromo-2-(bromomethyl)-4-methylheptan-2-yl]-4-methylbenzene
CID 79456211

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-2,4-dimethylheptane?
The IUPAC name of 1-bromo-2-(bromomethyl)-2,4-dimethylheptane (CID 79453962) is 1-bromo-2-(bromomethyl)-2,4-dimethylheptane.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-2,4-dimethylheptane?
The canonical SMILES for 1-bromo-2-(bromomethyl)-2,4-dimethylheptane is CCCC(C)CC(C)(CBr)CBr.
What is the InChIKey of 1-bromo-2-(bromomethyl)-2,4-dimethylheptane?
The InChIKey is RGYXBLSVNRJELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Br2/c1-4-5-9(2)6-10(3,7-11)8-12/h9H,4-8H2,1-3H3.
What are the key properties of 1-bromo-2-(bromomethyl)-2,4-dimethylheptane?
1-bromo-2-(bromomethyl)-2,4-dimethylheptane has a molecular weight of 300.08 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-2,4-dimethylheptane is sourced from PubChem (CID 79453962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).