2,4-dimethylhex-2-ene

C8H16 — CID 518909

IUPAC2,4-dimethylhex-2-ene
SMILESCCC(C)C=C(C)C
InChIInChI=1S/C8H16/c1-5-8(4)6-7(2)3/h6,8H,5H2,1-4H3
InChIKeyIZSBIPQYBGDXJZ-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.00
Rot. Bonds2

About 2,4-dimethylhex-2-ene

2,4-dimethylhex-2-ene (PubChem CID 518909) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 2,4-dimethylhex-2-ene.

Molecular Properties

Compound Name2,4-dimethylhex-2-ene
PubChem CID518909
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name2,4-dimethylhex-2-ene
SMILESCCC(C)C=C(C)C
InChIInChI=1S/C8H16/c1-5-8(4)6-7(2)3/h6,8H,5H2,1-4H3
InChIKeyIZSBIPQYBGDXJZ-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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Related Compounds

CID 7461
CID 7461
CID 7869
CID 7869
CID 17090
CID 17090
CID 10887985
CID 10887985
CID 11738
CID 11738
CID 5368910
CID 5368910
CID 81203
CID 81203
CID 557579
CID 557579
CID 19974
CID 19974
CID 5365758
CID 5365758
CID 10997105
CID 10997105
CID 5357255
CID 5357255

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylhex-2-ene?
The IUPAC name of 2,4-dimethylhex-2-ene (CID 518909) is 2,4-dimethylhex-2-ene.
What is the SMILES notation for 2,4-dimethylhex-2-ene?
The canonical SMILES for 2,4-dimethylhex-2-ene is CCC(C)C=C(C)C.
What is the InChIKey of 2,4-dimethylhex-2-ene?
The InChIKey is IZSBIPQYBGDXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-5-8(4)6-7(2)3/h6,8H,5H2,1-4H3.
What are the key properties of 2,4-dimethylhex-2-ene?
2,4-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 2,4-dimethylhex-2-ene is sourced from PubChem (CID 518909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).