3-bromo-3,7-dimethylocta-1,6-diene

C10H17Br — CID 11378947

IUPAC3-bromo-3,7-dimethylocta-1,6-diene
SMILESC=CC(C)(Br)CCC=C(C)C
InChIInChI=1S/C10H17Br/c1-5-10(4,11)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3
InChIKeyGAEZQFUAOMPPOR-UHFFFAOYSA-N
MW217.15 g/mol
LogP4.07
Rot. Bonds4

About 3-bromo-3,7-dimethylocta-1,6-diene

3-bromo-3,7-dimethylocta-1,6-diene (PubChem CID 11378947) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 3-bromo-3,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name3-bromo-3,7-dimethylocta-1,6-diene
PubChem CID11378947
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name3-bromo-3,7-dimethylocta-1,6-diene
SMILESC=CC(C)(Br)CCC=C(C)C
InChIInChI=1S/C10H17Br/c1-5-10(4,11)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3
InChIKeyGAEZQFUAOMPPOR-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 54.07
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

6-Bromo-2-methylhept-2-ene
CID 11745448
(6E)-9-bromo-2,6-dimethylnona-2,6-diene
CID 12051808
(6R)-7-bromo-2,6-dimethylhept-2-ene
CID 13571182
1-Bromo-4,8-dimethyldeca-3,7-diene
CID 14235229
1-Bromo-4,8-dimethylundeca-3,7-diene
CID 53797433
4,8-Dimethyl-3,7-decadienyl bromide
CID 53819838
9-Bromo-2,6-dimethylnona-1,5-diene
CID 73685412
Geranyllinalyl bromide
CID 129804054
2-Bromo-7-methyl-3-methylideneocta-1,6-diene
CID 23247411
7-Bromo-2,6-dimethylhept-2-ene
CID 13571181
7-Bromo-3-methylnon-3-ene
CID 54225492
9-Bromo-2-methyl-4-decene
CID 54277179

Frequently Asked Questions

What is the IUPAC name of 3-bromo-3,7-dimethylocta-1,6-diene?
The IUPAC name of 3-bromo-3,7-dimethylocta-1,6-diene (CID 11378947) is 3-bromo-3,7-dimethylocta-1,6-diene.
What is the SMILES notation for 3-bromo-3,7-dimethylocta-1,6-diene?
The canonical SMILES for 3-bromo-3,7-dimethylocta-1,6-diene is C=CC(C)(Br)CCC=C(C)C.
What is the InChIKey of 3-bromo-3,7-dimethylocta-1,6-diene?
The InChIKey is GAEZQFUAOMPPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-5-10(4,11)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3.
What are the key properties of 3-bromo-3,7-dimethylocta-1,6-diene?
3-bromo-3,7-dimethylocta-1,6-diene has a molecular weight of 217.15 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-3,7-dimethylocta-1,6-diene is sourced from PubChem (CID 11378947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).