4-(bromomethyl)-2,3,4-trimethylhexane

C10H21Br — CID 131230810

IUPAC4-(bromomethyl)-2,3,4-trimethylhexane
SMILESCCC(C)(CBr)C(C)C(C)C
InChIInChI=1S/C10H21Br/c1-6-10(5,7-11)9(4)8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyOKWUNCYYCXZARO-UHFFFAOYSA-N
MW221.18 g/mol
LogP4.09
Rot. Bonds4

About 4-(bromomethyl)-2,3,4-trimethylhexane

4-(bromomethyl)-2,3,4-trimethylhexane (PubChem CID 131230810) has the molecular formula C10H21Br and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-(bromomethyl)-2,3,4-trimethylhexane.

Molecular Properties

Compound Name4-(bromomethyl)-2,3,4-trimethylhexane
PubChem CID131230810
Molecular FormulaC10H21Br
Molecular Weight221.18 g/mol
Exact Mass220.08
IUPAC Name4-(bromomethyl)-2,3,4-trimethylhexane
SMILESCCC(C)(CBr)C(C)C(C)C
InChIInChI=1S/C10H21Br/c1-6-10(5,7-11)9(4)8(2)3/h8-9H,6-7H2,1-5H3
InChIKeyOKWUNCYYCXZARO-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 54.09
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-ethyl-2,3,4-trimethylpentan-1-amine
CID 131230930
2-(bromomethyl)-1,1-dichloro-2-methylbutane
CID 131851678
1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane
CID 165445799
1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025
4-(bromomethyl)-2,2-difluoro-4,5-dimethylhexane
CID 165446111
3-(bromomethyl)-1,1-difluoro-3-methylpentane
CID 165443659
1-bromo-2-methyl-2-(2-methylpropoxymethyl)butane
CID 165447149
3-(bromomethyl)-1-ethoxy-3,4-dimethylpentane
CID 83153665
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
3-ethyl-2,3,5-trimethylhexane
CID 53428900
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
3-ethyl-3,4-dimethylhexan-1-ol
CID 139931255

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2,3,4-trimethylhexane?
The IUPAC name of 4-(bromomethyl)-2,3,4-trimethylhexane (CID 131230810) is 4-(bromomethyl)-2,3,4-trimethylhexane.
What is the SMILES notation for 4-(bromomethyl)-2,3,4-trimethylhexane?
The canonical SMILES for 4-(bromomethyl)-2,3,4-trimethylhexane is CCC(C)(CBr)C(C)C(C)C.
What is the InChIKey of 4-(bromomethyl)-2,3,4-trimethylhexane?
The InChIKey is OKWUNCYYCXZARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Br/c1-6-10(5,7-11)9(4)8(2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of 4-(bromomethyl)-2,3,4-trimethylhexane?
4-(bromomethyl)-2,3,4-trimethylhexane has a molecular weight of 221.18 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2,3,4-trimethylhexane is sourced from PubChem (CID 131230810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).