2-bromo-4,7-dimethyloctane

C10H21Br — CID 64718592

IUPAC2-bromo-4,7-dimethyloctane
SMILESCC(C)CCC(C)CC(C)Br
InChIInChI=1S/C10H21Br/c1-8(2)5-6-9(3)7-10(4)11/h8-10H,5-7H2,1-4H3
InChIKeyXCNWIKBQURGXMT-UHFFFAOYSA-N
MW221.18 g/mol
LogP4.23
Rot. Bonds5

About 2-bromo-4,7-dimethyloctane

2-bromo-4,7-dimethyloctane (PubChem CID 64718592) has the molecular formula C10H21Br and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-bromo-4,7-dimethyloctane.

Molecular Properties

Compound Name2-bromo-4,7-dimethyloctane
PubChem CID64718592
Molecular FormulaC10H21Br
Molecular Weight221.18 g/mol
Exact Mass220.08
IUPAC Name2-bromo-4,7-dimethyloctane
SMILESCC(C)CCC(C)CC(C)Br
InChIInChI=1S/C10H21Br/c1-8(2)5-6-9(3)7-10(4)11/h8-10H,5-7H2,1-4H3
InChIKeyXCNWIKBQURGXMT-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 54.23
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

ethane;2-methylpropane;propane;2,4,7-trimethyloctane
CID 144533739
2-bromo-5-methylhexane
CID 15716192
2-bromo-4-methylundecane
CID 64721914
3,5,8-trimethylnon-1-ene
CID 123935828
1-bromo-3,5-dimethylhexane
CID 10867183
1,7-dibromo-3,5-dimethylheptane
CID 155037332
2,3,5,8-tetramethylnon-1-ene
CID 123958758
2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
CID 158252913
2,5-dimethylheptane;propane
CID 145235091
2,5-dimethylheptane
CID 90756934
2,5,9,13-tetramethyltetradecane
CID 58292409
2,15,18-trimethylnonadecane-4,13-diamine
CID 56622666

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,7-dimethyloctane?
The IUPAC name of 2-bromo-4,7-dimethyloctane (CID 64718592) is 2-bromo-4,7-dimethyloctane.
What is the SMILES notation for 2-bromo-4,7-dimethyloctane?
The canonical SMILES for 2-bromo-4,7-dimethyloctane is CC(C)CCC(C)CC(C)Br.
What is the InChIKey of 2-bromo-4,7-dimethyloctane?
The InChIKey is XCNWIKBQURGXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Br/c1-8(2)5-6-9(3)7-10(4)11/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-bromo-4,7-dimethyloctane?
2-bromo-4,7-dimethyloctane has a molecular weight of 221.18 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,7-dimethyloctane is sourced from PubChem (CID 64718592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).