3,5-dibromo-3,5-dimethylheptane

C9H18Br2 — CID 137445681

IUPAC3,5-dibromo-3,5-dimethylheptane
SMILESCCC(C)(Br)CC(C)(Br)CC
InChIInChI=1S/C9H18Br2/c1-5-8(3,10)7-9(4,11)6-2/h5-7H2,1-4H3
InChIKeyCSBBHMZIVNLGIF-UHFFFAOYSA-N
MW286.05 g/mol
LogP4.50
Rot. Bonds4

About 3,5-dibromo-3,5-dimethylheptane

3,5-dibromo-3,5-dimethylheptane (PubChem CID 137445681) has the molecular formula C9H18Br2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 3,5-dibromo-3,5-dimethylheptane.

Molecular Properties

Compound Name3,5-dibromo-3,5-dimethylheptane
PubChem CID137445681
Molecular FormulaC9H18Br2
Molecular Weight286.05 g/mol
Exact Mass283.98
IUPAC Name3,5-dibromo-3,5-dimethylheptane
SMILESCCC(C)(Br)CC(C)(Br)CC
InChIInChI=1S/C9H18Br2/c1-5-8(3,10)7-9(4,11)6-2/h5-7H2,1-4H3
InChIKeyCSBBHMZIVNLGIF-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 54.50
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

3-bromo-3,5,5-trimethylheptane
CID 122683982
5-bromo-N-tert-butyl-3,5-dimethylheptan-3-amine
CID 89032081
3-bromo-3-methylhexane
CID 19851237
4-bromo-2-ethyl-2,4-dimethylhexanoic acid
CID 130468141
3-bromo-3-methylpentane;dihydroxy(oxo)phosphanium
CID 159355693
methyl 5-bromo-3,3,5-trimethylheptanoate
CID 89376029
2-bromo-2,3,3-trimethylbutane
CID 13291529
1,1-dibromopropan-1-amine
CID 130016828
3-bromo-2,3-dimethylpentane
CID 54167618
2,3-dibromo-2-ethyl-3-methylbutanoic acid
CID 91152482
2-bromo-2,4,4-trimethylpentane
CID 11435470
2-methylbutan-2-ol;1,1,2-tribromoethanol
CID 174782089

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-3,5-dimethylheptane?
The IUPAC name of 3,5-dibromo-3,5-dimethylheptane (CID 137445681) is 3,5-dibromo-3,5-dimethylheptane.
What is the SMILES notation for 3,5-dibromo-3,5-dimethylheptane?
The canonical SMILES for 3,5-dibromo-3,5-dimethylheptane is CCC(C)(Br)CC(C)(Br)CC.
What is the InChIKey of 3,5-dibromo-3,5-dimethylheptane?
The InChIKey is CSBBHMZIVNLGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Br2/c1-5-8(3,10)7-9(4,11)6-2/h5-7H2,1-4H3.
What are the key properties of 3,5-dibromo-3,5-dimethylheptane?
3,5-dibromo-3,5-dimethylheptane has a molecular weight of 286.05 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-3,5-dimethylheptane is sourced from PubChem (CID 137445681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).