5-bromo-3,3,5-trimethylhept-1-ene

C10H19Br — CID 89277918

IUPAC5-bromo-3,3,5-trimethylhept-1-ene
SMILESC=CC(C)(C)CC(C)(Br)CC
InChIInChI=1S/C10H19Br/c1-6-9(3,4)8-10(5,11)7-2/h6H,1,7-8H2,2-5H3
InChIKeyWVKFPDUXNNFBQD-UHFFFAOYSA-N
MW219.17 g/mol
LogP4.15
Rot. Bonds4

About 5-bromo-3,3,5-trimethylhept-1-ene

5-bromo-3,3,5-trimethylhept-1-ene (PubChem CID 89277918) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 5-bromo-3,3,5-trimethylhept-1-ene.

Molecular Properties

Compound Name5-bromo-3,3,5-trimethylhept-1-ene
PubChem CID89277918
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name5-bromo-3,3,5-trimethylhept-1-ene
SMILESC=CC(C)(C)CC(C)(Br)CC
InChIInChI=1S/C10H19Br/c1-6-9(3,4)8-10(5,11)7-2/h6H,1,7-8H2,2-5H3
InChIKeyWVKFPDUXNNFBQD-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3,5-trimethylhept-1-ene?
The IUPAC name of 5-bromo-3,3,5-trimethylhept-1-ene (CID 89277918) is 5-bromo-3,3,5-trimethylhept-1-ene.
What is the SMILES notation for 5-bromo-3,3,5-trimethylhept-1-ene?
The canonical SMILES for 5-bromo-3,3,5-trimethylhept-1-ene is C=CC(C)(C)CC(C)(Br)CC.
What is the InChIKey of 5-bromo-3,3,5-trimethylhept-1-ene?
The InChIKey is WVKFPDUXNNFBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-6-9(3,4)8-10(5,11)7-2/h6H,1,7-8H2,2-5H3.
What are the key properties of 5-bromo-3,3,5-trimethylhept-1-ene?
5-bromo-3,3,5-trimethylhept-1-ene has a molecular weight of 219.17 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3,5-trimethylhept-1-ene is sourced from PubChem (CID 89277918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).