7-bromo-2,6-dimethylhept-1-ene

C9H17Br — CID 114477377

IUPAC7-bromo-2,6-dimethylhept-1-ene
SMILESC=C(C)CCCC(C)CBr
InChIInChI=1S/C9H17Br/c1-8(2)5-4-6-9(3)7-10/h9H,1,4-7H2,2-3H3
InChIKeyYKOWWUGLBGWAOF-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.76
Rot. Bonds5

About 7-bromo-2,6-dimethylhept-1-ene

7-bromo-2,6-dimethylhept-1-ene (PubChem CID 114477377) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 7-bromo-2,6-dimethylhept-1-ene.

Molecular Properties

Compound Name7-bromo-2,6-dimethylhept-1-ene
PubChem CID114477377
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name7-bromo-2,6-dimethylhept-1-ene
SMILESC=C(C)CCCC(C)CBr
InChIInChI=1S/C9H17Br/c1-8(2)5-4-6-9(3)7-10/h9H,1,4-7H2,2-3H3
InChIKeyYKOWWUGLBGWAOF-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.76
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

7-iodo-2,6-dimethylhept-1-ene
CID 138692615
2,7-dimethylnon-1-ene
CID 123682074
1,8-dibromo-2,7-dimethyloctane
CID 170903621
N,2,6-trimethylhept-6-en-1-amine
CID 114477309
(3S,5S)-5,9-dimethyldec-9-en-3-ol
CID 92860070
(3R)-2,7-dimethyloct-7-en-3-ol
CID 124511716
2,7-dimethyloct-7-en-3-ol
CID 79185633
2,11-dimethylnonadec-1-ene
CID 123484198
(2R)-1,5-dibromo-2-methylpentane
CID 10243526
(2S)-2,6-dimethylhept-6-enoic acid
CID 57381237
6-bromo-2,7,7-trimethyloct-1-ene
CID 79185124
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,6-dimethylhept-1-ene?
The IUPAC name of 7-bromo-2,6-dimethylhept-1-ene (CID 114477377) is 7-bromo-2,6-dimethylhept-1-ene.
What is the SMILES notation for 7-bromo-2,6-dimethylhept-1-ene?
The canonical SMILES for 7-bromo-2,6-dimethylhept-1-ene is C=C(C)CCCC(C)CBr.
What is the InChIKey of 7-bromo-2,6-dimethylhept-1-ene?
The InChIKey is YKOWWUGLBGWAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-8(2)5-4-6-9(3)7-10/h9H,1,4-7H2,2-3H3.
What are the key properties of 7-bromo-2,6-dimethylhept-1-ene?
7-bromo-2,6-dimethylhept-1-ene has a molecular weight of 205.14 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,6-dimethylhept-1-ene is sourced from PubChem (CID 114477377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).