2-bromo-2,3,3-trimethylbutane

C7H15Br — CID 13291529

IUPAC2-bromo-2,3,3-trimethylbutane
SMILESCC(C)(C)C(C)(C)Br
InChIInChI=1S/C7H15Br/c1-6(2,3)7(4,5)8/h1-5H3
InChIKeyTWWBBMUTGIOJPL-UHFFFAOYSA-N
MW179.10 g/mol
LogP3.21
Rot. Bonds

About 2-bromo-2,3,3-trimethylbutane

2-bromo-2,3,3-trimethylbutane (PubChem CID 13291529) has the molecular formula C7H15Br and a molecular weight of 179.10 g/mol. Its IUPAC name is 2-bromo-2,3,3-trimethylbutane.

Molecular Properties

Compound Name2-bromo-2,3,3-trimethylbutane
PubChem CID13291529
Molecular FormulaC7H15Br
Molecular Weight179.10 g/mol
Exact Mass178.04
IUPAC Name2-bromo-2,3,3-trimethylbutane
SMILESCC(C)(C)C(C)(C)Br
InChIInChI=1S/C7H15Br/c1-6(2,3)7(4,5)8/h1-5H3
InChIKeyTWWBBMUTGIOJPL-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 53.21
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

1,1,1,2,2,3,3-heptabromobutane
CID 91407354
sodium;2-bromo-2-methylpropane;hydride
CID 174910439
3,5-dibromo-3,5-dimethylheptane
CID 137445681
1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane
CID 158802625
2,2,3,3-tetramethylbutane;vanadium
CID 158970328
4-(2-bromopropan-2-yl)-4,5,5-trimethylhex-1-ene
CID 20588997
2,2-dibromo-3-methylbutane
CID 13047634
1,2,2-tribromopropane-1,1-diol
CID 118275935
1-bromo-1-chloro-1-iodoethane
CID 90333243
1-amino-1-bromoethanol
CID 158110209
1-bromo-1-chloro-1-fluoroethane
CID 57450899
3-bromo-3-methylhexane
CID 19851237

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,3,3-trimethylbutane?
The IUPAC name of 2-bromo-2,3,3-trimethylbutane (CID 13291529) is 2-bromo-2,3,3-trimethylbutane.
What is the SMILES notation for 2-bromo-2,3,3-trimethylbutane?
The canonical SMILES for 2-bromo-2,3,3-trimethylbutane is CC(C)(C)C(C)(C)Br.
What is the InChIKey of 2-bromo-2,3,3-trimethylbutane?
The InChIKey is TWWBBMUTGIOJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Br/c1-6(2,3)7(4,5)8/h1-5H3.
What are the key properties of 2-bromo-2,3,3-trimethylbutane?
2-bromo-2,3,3-trimethylbutane has a molecular weight of 179.10 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,3,3-trimethylbutane is sourced from PubChem (CID 13291529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).