7-bromo-2,4,4-trimethylhept-2-ene

C10H19Br — CID 170848295

IUPAC7-bromo-2,4,4-trimethylhept-2-ene
SMILESCC(C)=CC(C)(C)CCCBr
InChIInChI=1S/C10H19Br/c1-9(2)8-10(3,4)6-5-7-11/h8H,5-7H2,1-4H3
InChIKeyZCNDAIJCISZYKM-UHFFFAOYSA-N
MW219.17 g/mol
LogP4.15
Rot. Bonds4

About 7-bromo-2,4,4-trimethylhept-2-ene

7-bromo-2,4,4-trimethylhept-2-ene (PubChem CID 170848295) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 7-bromo-2,4,4-trimethylhept-2-ene.

Molecular Properties

Compound Name7-bromo-2,4,4-trimethylhept-2-ene
PubChem CID170848295
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name7-bromo-2,4,4-trimethylhept-2-ene
SMILESCC(C)=CC(C)(C)CCCBr
InChIInChI=1S/C10H19Br/c1-9(2)8-10(3,4)6-5-7-11/h8H,5-7H2,1-4H3
InChIKeyZCNDAIJCISZYKM-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 7-bromo-2,4,4-trimethylhept-2-ene?
The IUPAC name of 7-bromo-2,4,4-trimethylhept-2-ene (CID 170848295) is 7-bromo-2,4,4-trimethylhept-2-ene.
What is the SMILES notation for 7-bromo-2,4,4-trimethylhept-2-ene?
The canonical SMILES for 7-bromo-2,4,4-trimethylhept-2-ene is CC(C)=CC(C)(C)CCCBr.
What is the InChIKey of 7-bromo-2,4,4-trimethylhept-2-ene?
The InChIKey is ZCNDAIJCISZYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-9(2)8-10(3,4)6-5-7-11/h8H,5-7H2,1-4H3.
What are the key properties of 7-bromo-2,4,4-trimethylhept-2-ene?
7-bromo-2,4,4-trimethylhept-2-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 7-bromo-2,4,4-trimethylhept-2-ene is sourced from PubChem (CID 170848295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).