6-bromo-6-methylhept-1-ene

C8H15Br — CID 14248212

IUPAC6-bromo-6-methylhept-1-ene
SMILESC=CCCCC(C)(C)Br
InChIInChI=1S/C8H15Br/c1-4-5-6-7-8(2,3)9/h4H,1,5-7H2,2-3H3
InChIKeyQJCXOLBKBLSNLV-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.52
Rot. Bonds4

About 6-bromo-6-methylhept-1-ene

6-bromo-6-methylhept-1-ene (PubChem CID 14248212) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 6-bromo-6-methylhept-1-ene.

Molecular Properties

Compound Name6-bromo-6-methylhept-1-ene
PubChem CID14248212
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name6-bromo-6-methylhept-1-ene
SMILESC=CCCCC(C)(C)Br
InChIInChI=1S/C8H15Br/c1-4-5-6-7-8(2,3)9/h4H,1,5-7H2,2-3H3
InChIKeyQJCXOLBKBLSNLV-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-bromo-6-methylhept-1-ene?
The IUPAC name of 6-bromo-6-methylhept-1-ene (CID 14248212) is 6-bromo-6-methylhept-1-ene.
What is the SMILES notation for 6-bromo-6-methylhept-1-ene?
The canonical SMILES for 6-bromo-6-methylhept-1-ene is C=CCCCC(C)(C)Br.
What is the InChIKey of 6-bromo-6-methylhept-1-ene?
The InChIKey is QJCXOLBKBLSNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-4-5-6-7-8(2,3)9/h4H,1,5-7H2,2-3H3.
What are the key properties of 6-bromo-6-methylhept-1-ene?
6-bromo-6-methylhept-1-ene has a molecular weight of 191.11 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-6-methylhept-1-ene is sourced from PubChem (CID 14248212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).