7-bromo-3-methylnon-3-ene

C10H19Br — CID 54225492

IUPAC7-bromo-3-methylnon-3-ene
SMILESCCC(C)=CCCC(Br)CC
InChIInChI=1S/C10H19Br/c1-4-9(3)7-6-8-10(11)5-2/h7,10H,4-6,8H2,1-3H3
InChIKeyQFNZNWDMAYJWNQ-UHFFFAOYSA-N
MW219.17 g/mol
LogP4.30
Rot. Bonds5

About 7-bromo-3-methylnon-3-ene

7-bromo-3-methylnon-3-ene (PubChem CID 54225492) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 7-bromo-3-methylnon-3-ene.

Molecular Properties

Compound Name7-bromo-3-methylnon-3-ene
PubChem CID54225492
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name7-bromo-3-methylnon-3-ene
SMILESCCC(C)=CCCC(Br)CC
InChIInChI=1S/C10H19Br/c1-4-9(3)7-6-8-10(11)5-2/h7,10H,4-6,8H2,1-3H3
InChIKeyQFNZNWDMAYJWNQ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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-3-methylnon-3-ene?
The IUPAC name of 7-bromo-3-methylnon-3-ene (CID 54225492) is 7-bromo-3-methylnon-3-ene.
What is the SMILES notation for 7-bromo-3-methylnon-3-ene?
The canonical SMILES for 7-bromo-3-methylnon-3-ene is CCC(C)=CCCC(Br)CC.
What is the InChIKey of 7-bromo-3-methylnon-3-ene?
The InChIKey is QFNZNWDMAYJWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-4-9(3)7-6-8-10(11)5-2/h7,10H,4-6,8H2,1-3H3.
What are the key properties of 7-bromo-3-methylnon-3-ene?
7-bromo-3-methylnon-3-ene has a molecular weight of 219.17 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methylnon-3-ene is sourced from PubChem (CID 54225492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).