9-bromo-6,6-dimethylnon-1-ene

C11H21Br — CID 170848048

IUPAC9-bromo-6,6-dimethylnon-1-ene
SMILESC=CCCCC(C)(C)CCCBr
InChIInChI=1S/C11H21Br/c1-4-5-6-8-11(2,3)9-7-10-12/h4H,1,5-10H2,2-3H3
InChIKeyIJHOZWGVDDLYNX-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.54
Rot. Bonds7

About 9-bromo-6,6-dimethylnon-1-ene

9-bromo-6,6-dimethylnon-1-ene (PubChem CID 170848048) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 9-bromo-6,6-dimethylnon-1-ene.

Molecular Properties

Compound Name9-bromo-6,6-dimethylnon-1-ene
PubChem CID170848048
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name9-bromo-6,6-dimethylnon-1-ene
SMILESC=CCCCC(C)(C)CCCBr
InChIInChI=1S/C11H21Br/c1-4-5-6-8-11(2,3)9-7-10-12/h4H,1,5-10H2,2-3H3
InChIKeyIJHOZWGVDDLYNX-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Hexene, 6-bromo-5,5-dimethyl-
CID 10330181
1-(Bromomethyl)-1-(prop-2-en-1-yl)cyclopentane
CID 102347052
4-(Bromomethyl)-4-methylhex-1-ene
CID 126986663
1-(Bromomethyl)-1-(prop-2-en-1-yl)cyclohexane
CID 67741470
7-Bromo-2,3,3-trimethyl-1-heptene
CID 15049544
6-Bromo-2,3,3-trimethyl-1-hexene
CID 15049545
6-Bromo-6-ethyloct-1-ene
CID 10798895
4-(2-Bromoethyl)dodec-1-ene
CID 101431503
5-(Bromomethyl)tridec-1-ene
CID 101431504
4-(Bromomethyl)-4-propylhept-1-ene
CID 125492204
6,6-Dipropyl-1-nonene
CID 129659641
(10r)-11-Bromo-10-methylundec-1-ene
CID 129749739

Frequently Asked Questions

What is the IUPAC name of 9-bromo-6,6-dimethylnon-1-ene?
The IUPAC name of 9-bromo-6,6-dimethylnon-1-ene (CID 170848048) is 9-bromo-6,6-dimethylnon-1-ene.
What is the SMILES notation for 9-bromo-6,6-dimethylnon-1-ene?
The canonical SMILES for 9-bromo-6,6-dimethylnon-1-ene is C=CCCCC(C)(C)CCCBr.
What is the InChIKey of 9-bromo-6,6-dimethylnon-1-ene?
The InChIKey is IJHOZWGVDDLYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-4-5-6-8-11(2,3)9-7-10-12/h4H,1,5-10H2,2-3H3.
What are the key properties of 9-bromo-6,6-dimethylnon-1-ene?
9-bromo-6,6-dimethylnon-1-ene has a molecular weight of 233.19 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-6,6-dimethylnon-1-ene is sourced from PubChem (CID 170848048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).