1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene

C8H12BrCl — CID 134921949

IUPAC1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene
SMILESCC(=C=C(Cl)Br)C(C)(C)C
InChIInChI=1S/C8H12BrCl/c1-6(5-7(9)10)8(2,3)4/h1-4H3
InChIKeyBIWNLNRKZABDAS-UHFFFAOYSA-N
MW223.54 g/mol
LogP4.05
Rot. Bonds

About 1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene

1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene (PubChem CID 134921949) has the molecular formula C8H12BrCl and a molecular weight of 223.54 g/mol. Its IUPAC name is 1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene.

Molecular Properties

Compound Name1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene
PubChem CID134921949
Molecular FormulaC8H12BrCl
Molecular Weight223.54 g/mol
Exact Mass221.98
IUPAC Name1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene
SMILESCC(=C=C(Cl)Br)C(C)(C)C
InChIInChI=1S/C8H12BrCl/c1-6(5-7(9)10)8(2,3)4/h1-4H3
InChIKeyBIWNLNRKZABDAS-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.54
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

hydroxy-oxo-(4,5,5-trimethylhexa-2,3-dien-2-yl)phosphanium
CID 13268675
2,3,3-trimethylbut-1-enylidenemanganese
CID 139264368
methyl 4,4-dimethyl-3-methylidenepentanoate
CID 86181617
2-bromo-3,3-dichlorobut-1-ene
CID 12836192
3-tert-butyl-2,2,7,8,8-pentamethylnona-3,4,5,6-tetraene
CID 24978404
2-bromo-1,1-dichloro-3-methoxy-3-methylbut-1-ene
CID 14221296
acetyl chloride;2,2-dimethylpropanamide
CID 157270629
4,5,5-trimethylhexa-2,3-dienenitrile
CID 12868362
(2Z)-3-tert-butyl-N,N,4-trimethylpenta-2,4-dien-2-amine
CID 138649011
CID 175192206
CID 175192206
2,3-dichloro-3-methylbut-1-ene
CID 12615568
(3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene
CID 157253395

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene?
The IUPAC name of 1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene (CID 134921949) is 1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene.
What is the SMILES notation for 1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene?
The canonical SMILES for 1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene is CC(=C=C(Cl)Br)C(C)(C)C.
What is the InChIKey of 1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene?
The InChIKey is BIWNLNRKZABDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrCl/c1-6(5-7(9)10)8(2,3)4/h1-4H3.
What are the key properties of 1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene?
1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene has a molecular weight of 223.54 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-chloro-3,4,4-trimethylpenta-1,2-diene is sourced from PubChem (CID 134921949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).