3-bromo-2,4-dimethylheptane

C9H19Br — CID 79298351

IUPAC3-bromo-2,4-dimethylheptane
SMILESCCCC(C)C(Br)C(C)C
InChIInChI=1S/C9H19Br/c1-5-6-8(4)9(10)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeySIEKOUUHEVAPLZ-UHFFFAOYSA-N
MW207.15 g/mol
LogP3.84
Rot. Bonds4

About 3-bromo-2,4-dimethylheptane

3-bromo-2,4-dimethylheptane (PubChem CID 79298351) has the molecular formula C9H19Br and a molecular weight of 207.15 g/mol. Its IUPAC name is 3-bromo-2,4-dimethylheptane.

Molecular Properties

Compound Name3-bromo-2,4-dimethylheptane
PubChem CID79298351
Molecular FormulaC9H19Br
Molecular Weight207.15 g/mol
Exact Mass206.07
IUPAC Name3-bromo-2,4-dimethylheptane
SMILESCCCC(C)C(Br)C(C)C
InChIInChI=1S/C9H19Br/c1-5-6-8(4)9(10)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeySIEKOUUHEVAPLZ-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 53.84
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

2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
(3R)-3,4-dimethylheptane
CID 59819300
1-bromobutylsilane
CID 174507428
5-tert-butyl-4,6-dimethylnonane
CID 91526510
4-bromo-2,3-dimethylheptane
CID 83051461
2,3,4,5,6,7,8,9,10-nonamethyltridecane
CID 123419522
2-bromo-3-propan-2-ylhexane
CID 63472075
3-bromo-1-methoxy-2,4-dimethylpentane
CID 79298776
(2S,3R)-2-fluoro-3-methylhexane
CID 142291573
(2R)-3-methylhexan-2-ol
CID 88692749
3-fluoro-2,2,4-trimethylheptane
CID 123271530
4-methyl-3-propan-2-ylheptan-2-ol
CID 107885963

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-dimethylheptane?
The IUPAC name of 3-bromo-2,4-dimethylheptane (CID 79298351) is 3-bromo-2,4-dimethylheptane.
What is the SMILES notation for 3-bromo-2,4-dimethylheptane?
The canonical SMILES for 3-bromo-2,4-dimethylheptane is CCCC(C)C(Br)C(C)C.
What is the InChIKey of 3-bromo-2,4-dimethylheptane?
The InChIKey is SIEKOUUHEVAPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Br/c1-5-6-8(4)9(10)7(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-bromo-2,4-dimethylheptane?
3-bromo-2,4-dimethylheptane has a molecular weight of 207.15 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4-dimethylheptane is sourced from PubChem (CID 79298351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).