(E)-1-bromo-2,3,3-trimethylbut-1-ene

C7H13Br — CID 15737642

IUPAC(E)-1-bromo-2,3,3-trimethylbut-1-ene
SMILESC/C(=C\Br)C(C)(C)C
InChIInChI=1S/C7H13Br/c1-6(5-8)7(2,3)4/h5H,1-4H3/b6-5+
InChIKeyNEURMCREFABFGU-AATRIKPKSA-N
MW177.08 g/mol
LogP3.33
Rot. Bonds

About (E)-1-bromo-2,3,3-trimethylbut-1-ene

(E)-1-bromo-2,3,3-trimethylbut-1-ene (PubChem CID 15737642) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is (E)-1-bromo-2,3,3-trimethylbut-1-ene.

Molecular Properties

Compound Name(E)-1-bromo-2,3,3-trimethylbut-1-ene
PubChem CID15737642
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name(E)-1-bromo-2,3,3-trimethylbut-1-ene
SMILESC/C(=C\Br)C(C)(C)C
InChIInChI=1S/C7H13Br/c1-6(5-8)7(2,3)4/h5H,1-4H3/b6-5+
InChIKeyNEURMCREFABFGU-AATRIKPKSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(bromomethylidene)-2,2,4,4-tetramethylpentane
CID 170849061
(E)-1-chloro-2,3,3-trimethylbut-1-ene
CID 167165936
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
1-bromo-2-(113C)methyl(1,3-13C2)prop-1-ene
CID 76973307
O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine
CID 126587144
(E)-2,2,3,5,5,6,6-heptamethylhept-3-ene
CID 5365072
(E)-1-hydroperoxy-2,3,3-trimethylbut-1-ene
CID 18637993
N,4,5,5-tetramethylhex-3-en-2-imine
CID 123473117
2,2,3-trimethylhept-3-ene
CID 73411222
(2E,4E)-5,6,6-trimethylhepta-2,4-dien-3-amine
CID 134214023
2,2,3,5,5-pentamethylhex-3-ene;2,2,5,5-tetramethylhexane
CID 162279415
(E)-2,2,3,6-tetramethylhept-3-ene
CID 13070117

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-2,3,3-trimethylbut-1-ene?
The IUPAC name of (E)-1-bromo-2,3,3-trimethylbut-1-ene (CID 15737642) is (E)-1-bromo-2,3,3-trimethylbut-1-ene.
What is the SMILES notation for (E)-1-bromo-2,3,3-trimethylbut-1-ene?
The canonical SMILES for (E)-1-bromo-2,3,3-trimethylbut-1-ene is C/C(=C\Br)C(C)(C)C.
What is the InChIKey of (E)-1-bromo-2,3,3-trimethylbut-1-ene?
The InChIKey is NEURMCREFABFGU-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13Br/c1-6(5-8)7(2,3)4/h5H,1-4H3/b6-5+.
What are the key properties of (E)-1-bromo-2,3,3-trimethylbut-1-ene?
(E)-1-bromo-2,3,3-trimethylbut-1-ene has a molecular weight of 177.08 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-2,3,3-trimethylbut-1-ene is sourced from PubChem (CID 15737642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).