4-bromo-2-methyloctane;hydrobromide

C9H20Br2 — CID 175067388

IUPAC4-bromo-2-methyloctane;hydrobromide
SMILESBr.CCCCC(Br)CC(C)C
InChIInChI=1S/C9H19Br.BrH/c1-4-5-6-9(10)7-8(2)3;/h8-9H,4-7H2,1-3H3;1H
InChIKeyLPUMUDCOUCGEMJ-UHFFFAOYSA-N
MW288.07 g/mol
LogP4.56
Rot. Bonds5

About 4-bromo-2-methyloctane;hydrobromide

4-bromo-2-methyloctane;hydrobromide (PubChem CID 175067388) has the molecular formula C9H20Br2 and a molecular weight of 288.07 g/mol. Its IUPAC name is 4-bromo-2-methyloctane;hydrobromide.

Molecular Properties

Compound Name4-bromo-2-methyloctane;hydrobromide
PubChem CID175067388
Molecular FormulaC9H20Br2
Molecular Weight288.07 g/mol
Exact Mass285.99
IUPAC Name4-bromo-2-methyloctane;hydrobromide
SMILESBr.CCCCC(Br)CC(C)C
InChIInChI=1S/C9H19Br.BrH/c1-4-5-6-9(10)7-8(2)3;/h8-9H,4-7H2,1-3H3;1H
InChIKeyLPUMUDCOUCGEMJ-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.07
LogP ≤ 54.56
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-dibromooctane
CID 150795215
4-bromo-2,9-dimethyldecane
CID 83161521
1,1,3-tribromooctane
CID 10861079
(2R)-2-bromohexan-1-ol
CID 131142096
(3R)-1,3-dibromoheptane
CID 129379896
2,4-dimethylpentane;pentane
CID 161023213
12-bromodotriacontane
CID 122613066
6-bromopentadecane
CID 86639780
3-bromo-1,1-difluorononane
CID 24977728
4-iodo-2-methyloctane
CID 174582268
2,4-dimethyloctane;ethene
CID 156719555
2-methylhexane;dihydrate
CID 155319003

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyloctane;hydrobromide?
The IUPAC name of 4-bromo-2-methyloctane;hydrobromide (CID 175067388) is 4-bromo-2-methyloctane;hydrobromide.
What is the SMILES notation for 4-bromo-2-methyloctane;hydrobromide?
The canonical SMILES for 4-bromo-2-methyloctane;hydrobromide is Br.CCCCC(Br)CC(C)C.
What is the InChIKey of 4-bromo-2-methyloctane;hydrobromide?
The InChIKey is LPUMUDCOUCGEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Br.BrH/c1-4-5-6-9(10)7-8(2)3;/h8-9H,4-7H2,1-3H3;1H.
What are the key properties of 4-bromo-2-methyloctane;hydrobromide?
4-bromo-2-methyloctane;hydrobromide has a molecular weight of 288.07 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyloctane;hydrobromide is sourced from PubChem (CID 175067388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).