7-bromo-5-methylhept-1-ene

C8H15Br — CID 15176373

IUPAC7-bromo-5-methylhept-1-ene
SMILESC=CCCC(C)CCBr
InChIInChI=1S/C8H15Br/c1-3-4-5-8(2)6-7-9/h3,8H,1,4-7H2,2H3
InChIKeyADGGWGFAZPRZHR-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.37
Rot. Bonds5

About 7-bromo-5-methylhept-1-ene

7-bromo-5-methylhept-1-ene (PubChem CID 15176373) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 7-bromo-5-methylhept-1-ene.

Molecular Properties

Compound Name7-bromo-5-methylhept-1-ene
PubChem CID15176373
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name7-bromo-5-methylhept-1-ene
SMILESC=CCCC(C)CCBr
InChIInChI=1S/C8H15Br/c1-3-4-5-8(2)6-7-9/h3,8H,1,4-7H2,2H3
InChIKeyADGGWGFAZPRZHR-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.37
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 7-bromo-5-methylhept-1-ene?
The IUPAC name of 7-bromo-5-methylhept-1-ene (CID 15176373) is 7-bromo-5-methylhept-1-ene.
What is the SMILES notation for 7-bromo-5-methylhept-1-ene?
The canonical SMILES for 7-bromo-5-methylhept-1-ene is C=CCCC(C)CCBr.
What is the InChIKey of 7-bromo-5-methylhept-1-ene?
The InChIKey is ADGGWGFAZPRZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-3-4-5-8(2)6-7-9/h3,8H,1,4-7H2,2H3.
What are the key properties of 7-bromo-5-methylhept-1-ene?
7-bromo-5-methylhept-1-ene has a molecular weight of 191.11 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methylhept-1-ene is sourced from PubChem (CID 15176373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).