6-bromo-2,3,3-trimethylhex-1-ene

C9H17Br — CID 15049545

IUPAC6-bromo-2,3,3-trimethylhex-1-ene
SMILESC=C(C)C(C)(C)CCCBr
InChIInChI=1S/C9H17Br/c1-8(2)9(3,4)6-5-7-10/h1,5-7H2,2-4H3
InChIKeyGEBOXKPAUOBDDG-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.76
Rot. Bonds4

About 6-bromo-2,3,3-trimethylhex-1-ene

6-bromo-2,3,3-trimethylhex-1-ene (PubChem CID 15049545) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 6-bromo-2,3,3-trimethylhex-1-ene.

Molecular Properties

Compound Name6-bromo-2,3,3-trimethylhex-1-ene
PubChem CID15049545
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name6-bromo-2,3,3-trimethylhex-1-ene
SMILESC=C(C)C(C)(C)CCCBr
InChIInChI=1S/C9H17Br/c1-8(2)9(3,4)6-5-7-10/h1,5-7H2,2-4H3
InChIKeyGEBOXKPAUOBDDG-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.76
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 6-bromo-2,3,3-trimethylhex-1-ene?
The IUPAC name of 6-bromo-2,3,3-trimethylhex-1-ene (CID 15049545) is 6-bromo-2,3,3-trimethylhex-1-ene.
What is the SMILES notation for 6-bromo-2,3,3-trimethylhex-1-ene?
The canonical SMILES for 6-bromo-2,3,3-trimethylhex-1-ene is C=C(C)C(C)(C)CCCBr.
What is the InChIKey of 6-bromo-2,3,3-trimethylhex-1-ene?
The InChIKey is GEBOXKPAUOBDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-8(2)9(3,4)6-5-7-10/h1,5-7H2,2-4H3.
What are the key properties of 6-bromo-2,3,3-trimethylhex-1-ene?
6-bromo-2,3,3-trimethylhex-1-ene has a molecular weight of 205.14 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3,3-trimethylhex-1-ene is sourced from PubChem (CID 15049545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).