(2E)-1-bromo-3,7-dimethylocta-2,6-diene

C10H17Br — CID 5365867

IUPAC(2E)-1-bromo-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CBr
InChIInChI=1S/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKeyJSCUZAYKVZXKQE-JXMROGBWSA-N
MW217.15 g/mol
LogP4.07
Rot. Bonds4

About (2E)-1-bromo-3,7-dimethylocta-2,6-diene

(2E)-1-bromo-3,7-dimethylocta-2,6-diene (PubChem CID 5365867) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is (2E)-1-bromo-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-bromo-3,7-dimethylocta-2,6-diene
PubChem CID5365867
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name(2E)-1-bromo-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CBr
InChIInChI=1S/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKeyJSCUZAYKVZXKQE-JXMROGBWSA-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

Geraniolene
CID 81203
2,6,10-Trimethyldodeca-2,6,10-triene
CID 4475483
2-Methyl-2-heptene
CID 12330
(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene
CID 444108
(6E)-2,6-dimethyl-2,6-octadiene
CID 5365898
1,5,9-Cyclododecatriene, 1,5,9-trimethyl-
CID 5365777
(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 21734683
cis-2,6-Dimethyl-2,6-octadiene
CID 5352478
4-Methyl-3-heptene
CID 5364638
(Z)-4-Methylhept-3-ene
CID 5383005
4-Nonene, 1-bromo-, (Z)-
CID 5364487
2,6,10-Trimethyl-2,6Z,10-dodecatriene
CID 13619421

Frequently Asked Questions

What is the IUPAC name of (2E)-1-bromo-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-bromo-3,7-dimethylocta-2,6-diene (CID 5365867) is (2E)-1-bromo-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-bromo-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-bromo-3,7-dimethylocta-2,6-diene is CC(C)=CCC/C(C)=C/CBr.
What is the InChIKey of (2E)-1-bromo-3,7-dimethylocta-2,6-diene?
The InChIKey is JSCUZAYKVZXKQE-JXMROGBWSA-N. The full InChI is InChI=1S/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+.
What are the key properties of (2E)-1-bromo-3,7-dimethylocta-2,6-diene?
(2E)-1-bromo-3,7-dimethylocta-2,6-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 (2E)-1-bromo-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 5365867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).