2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene

C6H9BrCl2O — CID 14221296

IUPAC2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene
SMILESCOC(C)(C)C(Br)=C(Cl)Cl
InChIInChI=1S/C6H9BrCl2O/c1-6(2,10-3)4(7)5(8)9/h1-3H3
InChIKeyVGCPBTQNBGLTGG-UHFFFAOYSA-N
MW247.95 g/mol
LogP3.45
Rot. Bonds2

About 2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene

2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene (PubChem CID 14221296) has the molecular formula C6H9BrCl2O and a molecular weight of 247.95 g/mol. Its IUPAC name is 2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene.

Molecular Properties

Compound Name2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene
PubChem CID14221296
Molecular FormulaC6H9BrCl2O
Molecular Weight247.95 g/mol
Exact Mass245.92
IUPAC Name2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene
SMILESCOC(C)(C)C(Br)=C(Cl)Cl
InChIInChI=1S/C6H9BrCl2O/c1-6(2,10-3)4(7)5(8)9/h1-3H3
InChIKeyVGCPBTQNBGLTGG-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.95
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene
CID 154220491
1-chloro-3-methoxy-3-methylbutan-2-one
CID 12922156
2-methoxy-2-methylpropanoate
CID 21283494
5-methoxy-4,5-dimethylhex-3-en-2-one
CID 91074265
2-[(Z)-1,2-dichloro-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane
CID 134895292
dichloromethane;methanol;2-methoxy-2-methylpropane
CID 87545382
N'-amino-2-methoxy-2-methylpropanimidamide
CID 79204608
1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene
CID 134921949
1-hydroxy-3-methoxy-3-methylbutan-2-one
CID 126974632
bromo(methoxy)methane;methanol
CID 175191460
2-(1-chloro-2-methyl-1-oxopropan-2-yl)oxy-2-methylpropanoyl chloride
CID 152591826
(Z)-2-(2-methoxypropan-2-yl)but-2-en-1-ol
CID 142619812

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene?
The IUPAC name of 2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene (CID 14221296) is 2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene.
What is the SMILES notation for 2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene?
The canonical SMILES for 2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene is COC(C)(C)C(Br)=C(Cl)Cl.
What is the InChIKey of 2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene?
The InChIKey is VGCPBTQNBGLTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrCl2O/c1-6(2,10-3)4(7)5(8)9/h1-3H3.
What are the key properties of 2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene?
2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene has a molecular weight of 247.95 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene is sourced from PubChem (CID 14221296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).