2,5-dimethylhex-2-ene

C8H16 — CID 18853

IUPAC2,5-dimethylhex-2-ene
SMILESCC(C)=CCC(C)C
InChIInChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5,8H,6H2,1-4H3
InChIKeyVFZIUYUUQFYZBR-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.00
Rot. Bonds2

About 2,5-dimethylhex-2-ene

2,5-dimethylhex-2-ene (PubChem CID 18853) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 2,5-dimethylhex-2-ene.

Molecular Properties

Compound Name2,5-dimethylhex-2-ene
PubChem CID18853
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name2,5-dimethylhex-2-ene
SMILESCC(C)=CCC(C)C
InChIInChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5,8H,6H2,1-4H3
InChIKeyVFZIUYUUQFYZBR-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhex-2-ene?
The IUPAC name of 2,5-dimethylhex-2-ene (CID 18853) is 2,5-dimethylhex-2-ene.
What is the SMILES notation for 2,5-dimethylhex-2-ene?
The canonical SMILES for 2,5-dimethylhex-2-ene is CC(C)=CCC(C)C.
What is the InChIKey of 2,5-dimethylhex-2-ene?
The InChIKey is VFZIUYUUQFYZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5,8H,6H2,1-4H3.
What are the key properties of 2,5-dimethylhex-2-ene?
2,5-dimethylhex-2-ene has a molecular weight of 112.22 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhex-2-ene is sourced from PubChem (CID 18853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).