(E)-1-bromo-3,7-dimethyloct-4-ene

C10H19Br — CID 13192474

IUPAC(E)-1-bromo-3,7-dimethyloct-4-ene
SMILESCC(C)C/C=C/C(C)CCBr
InChIInChI=1S/C10H19Br/c1-9(2)5-4-6-10(3)7-8-11/h4,6,9-10H,5,7-8H2,1-3H3/b6-4+
InChIKeyHQBISFWKJSCLCW-GQCTYLIASA-N
MW219.17 g/mol
LogP4.01
Rot. Bonds5

About (E)-1-bromo-3,7-dimethyloct-4-ene

(E)-1-bromo-3,7-dimethyloct-4-ene (PubChem CID 13192474) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is (E)-1-bromo-3,7-dimethyloct-4-ene.

Molecular Properties

Compound Name(E)-1-bromo-3,7-dimethyloct-4-ene
PubChem CID13192474
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name(E)-1-bromo-3,7-dimethyloct-4-ene
SMILESCC(C)C/C=C/C(C)CCBr
InChIInChI=1S/C10H19Br/c1-9(2)5-4-6-10(3)7-8-11/h4,6,9-10H,5,7-8H2,1-3H3/b6-4+
InChIKeyHQBISFWKJSCLCW-GQCTYLIASA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 54.01
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

(E)-2,6-dimethylhept-3-ene
CID 5364654
1-bromo-6-methylhept-3-ene
CID 79006953
(E)-2,6-dimethylhept-3-ene;methane
CID 158228697
3,7-dimethyloct-4-enenitrile
CID 154194625
4,8-dimethylnon-5-en-2-one
CID 91493464
ethane;(E)-5-methylhex-2-ene
CID 143114143
(E)-N,6-dimethylhept-3-en-2-amine
CID 167073805
ethane;(2Z,4Z)-7-methylocta-2,4-diene
CID 143708090
ethane;5-methylhex-2-ene;propane
CID 143336274
2,8-dimethylnon-4-ene
CID 54058844
7-[(Z)-4-methylpent-1-enyl]tridecane
CID 140612974
2-bromoethyl(trimethyl)phosphanium
CID 22909796

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-3,7-dimethyloct-4-ene?
The IUPAC name of (E)-1-bromo-3,7-dimethyloct-4-ene (CID 13192474) is (E)-1-bromo-3,7-dimethyloct-4-ene.
What is the SMILES notation for (E)-1-bromo-3,7-dimethyloct-4-ene?
The canonical SMILES for (E)-1-bromo-3,7-dimethyloct-4-ene is CC(C)C/C=C/C(C)CCBr.
What is the InChIKey of (E)-1-bromo-3,7-dimethyloct-4-ene?
The InChIKey is HQBISFWKJSCLCW-GQCTYLIASA-N. The full InChI is InChI=1S/C10H19Br/c1-9(2)5-4-6-10(3)7-8-11/h4,6,9-10H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of (E)-1-bromo-3,7-dimethyloct-4-ene?
(E)-1-bromo-3,7-dimethyloct-4-ene has a molecular weight of 219.17 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-3,7-dimethyloct-4-ene is sourced from PubChem (CID 13192474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).