4-bromo-2,3-dimethylheptane

C9H19Br — CID 83051461

IUPAC4-bromo-2,3-dimethylheptane
SMILESCCCC(Br)C(C)C(C)C
InChIInChI=1S/C9H19Br/c1-5-6-9(10)8(4)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyPEUMGIAPXVPCPR-UHFFFAOYSA-N
MW207.15 g/mol
LogP3.84
Rot. Bonds4

About 4-bromo-2,3-dimethylheptane

4-bromo-2,3-dimethylheptane (PubChem CID 83051461) has the molecular formula C9H19Br and a molecular weight of 207.15 g/mol. Its IUPAC name is 4-bromo-2,3-dimethylheptane.

Molecular Properties

Compound Name4-bromo-2,3-dimethylheptane
PubChem CID83051461
Molecular FormulaC9H19Br
Molecular Weight207.15 g/mol
Exact Mass206.07
IUPAC Name4-bromo-2,3-dimethylheptane
SMILESCCCC(Br)C(C)C(C)C
InChIInChI=1S/C9H19Br/c1-5-6-9(10)8(4)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyPEUMGIAPXVPCPR-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

4-bromo-5-propyloctane
CID 83050425
azane;3-bromohexan-2-ol
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3-bromo-2,4-dimethylheptane
CID 79298351
(4S,5S)-5-bromooctan-4-ol
CID 101139699
2,3,4,5,6,7,8,9,10-nonamethyltridecane
CID 123419522
2-bromo-3-propan-2-ylhexane
CID 63472075
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
6-bromo-2,3,7-trimethylnonane
CID 123690238
3-bromo-2-methyldecane
CID 63470479
4-bromo-3-(bromomethyl)heptane
CID 131843184
3-bromo-2-methyldodecane
CID 63470480
(2S)-2-bromopentan-1-ol
CID 101373163

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dimethylheptane?
The IUPAC name of 4-bromo-2,3-dimethylheptane (CID 83051461) is 4-bromo-2,3-dimethylheptane.
What is the SMILES notation for 4-bromo-2,3-dimethylheptane?
The canonical SMILES for 4-bromo-2,3-dimethylheptane is CCCC(Br)C(C)C(C)C.
What is the InChIKey of 4-bromo-2,3-dimethylheptane?
The InChIKey is PEUMGIAPXVPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Br/c1-5-6-9(10)8(4)7(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-bromo-2,3-dimethylheptane?
4-bromo-2,3-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 4-bromo-2,3-dimethylheptane is sourced from PubChem (CID 83051461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).