3-bromo-2,5,6,6-tetramethylhept-1-ene

C11H21Br — CID 146352481

IUPAC3-bromo-2,5,6,6-tetramethylhept-1-ene
SMILESC=C(C)C(Br)CC(C)C(C)(C)C
InChIInChI=1S/C11H21Br/c1-8(2)10(12)7-9(3)11(4,5)6/h9-10H,1,7H2,2-6H3
InChIKeyJMENWUJTHIWOGK-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.40
Rot. Bonds3

About 3-bromo-2,5,6,6-tetramethylhept-1-ene

3-bromo-2,5,6,6-tetramethylhept-1-ene (PubChem CID 146352481) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 3-bromo-2,5,6,6-tetramethylhept-1-ene.

Molecular Properties

Compound Name3-bromo-2,5,6,6-tetramethylhept-1-ene
PubChem CID146352481
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name3-bromo-2,5,6,6-tetramethylhept-1-ene
SMILESC=C(C)C(Br)CC(C)C(C)(C)C
InChIInChI=1S/C11H21Br/c1-8(2)10(12)7-9(3)11(4,5)6/h9-10H,1,7H2,2-6H3
InChIKeyJMENWUJTHIWOGK-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2,2,3-trimethylhexane
CID 64719255
2,6,7,7-tetramethyloct-1-en-4-ol
CID 115816985
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
N,2,7,8,8-pentamethylnon-1-en-5-amine
CID 105039716
4,6-dibromo-3,7-dimethylocta-2,7-dienal
CID 163068308
1-bromo-4-(2-bromo-4,5,5-trimethylhexyl)benzene
CID 63834724
1,1,1-trifluoro-4,5,5-trimethylhexan-2-ol
CID 155261760
2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine
CID 114472495
N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
CID 115854187
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane
CID 158668503
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
CID 158433518

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5,6,6-tetramethylhept-1-ene?
The IUPAC name of 3-bromo-2,5,6,6-tetramethylhept-1-ene (CID 146352481) is 3-bromo-2,5,6,6-tetramethylhept-1-ene.
What is the SMILES notation for 3-bromo-2,5,6,6-tetramethylhept-1-ene?
The canonical SMILES for 3-bromo-2,5,6,6-tetramethylhept-1-ene is C=C(C)C(Br)CC(C)C(C)(C)C.
What is the InChIKey of 3-bromo-2,5,6,6-tetramethylhept-1-ene?
The InChIKey is JMENWUJTHIWOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-8(2)10(12)7-9(3)11(4,5)6/h9-10H,1,7H2,2-6H3.
What are the key properties of 3-bromo-2,5,6,6-tetramethylhept-1-ene?
3-bromo-2,5,6,6-tetramethylhept-1-ene has a molecular weight of 233.19 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5,6,6-tetramethylhept-1-ene is sourced from PubChem (CID 146352481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).